SCHEMBL1255806

SCHEMBL1255806

[S-2].[S-2].[S-2].[S-2].[S-2].c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ CASP1 P29466 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ MAOA P21397 4/20 0.63
▸ MAOB P27338 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.61
▸ TAAR1 Q96RJ0 2/20 0.61
▸ CYP2A6 P11509 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ LOXL2 Q9Y4K0 1/20 0.61
▸ KCNH2 Q12809 1/20 0.57
▸ CALM1 P0DP23 1/20 0.56
▸ FFAR1 O14842 1/20 0.55
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1255778 1.00 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6916071 1.00 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Benzene SCHEMBL3440179 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL62125 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9741303 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL25403475 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3866811 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrogen Sulfide SCHEMBL9323294 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Ammonia Solution, Strong SCHEMBL5761625 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Bromide SCHEMBL4538420 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42165-E1 Modified asphalt compositions WESTLAKE LONGVIEW CORP. (US) 2011-02-22 — — US claimed
US-7202290-B2 Modified asphalt compositions EASTMAN CHEMICAL COMPANY (US) 2007-04-10 — — US claimed
US-20050101702-A1 mixtures of oxidized polyethylene, styrene-butadiene-styrene block copolymer and asphalt having storage stability and good workability, used as pavings BARINGS FINANCE LLC, AS ADMINISTRATIVE AGENT 2005-05-12 — — US claimed
JP-63175097-A — — None — — JP disclosed
CN-102892838-B Organic gelling agent derivative in bituminous composition in order to improve the purposes of bituminous composition to the tolerance of chemical erosion TOTAL RAFFINAGE MARKETING (FR) 2015-11-25 — — CN disclosed
CN-102947242-B Use of organogelator molecules in bituminous compositions to improve the resistance of same to chemical stress TOTAL RAFFINAGE MARKETING 2015-07-22 — — CN disclosed
CN-102639645-B Use of waxes in a bitumen/crosslinked polymer composition in order to improve the resistance thereof to chemical attack, and bitumen/crosslinked polymer composition comprising said waxes TOTAL RAFFINAGE MARKETING 2014-11-12 — — CN disclosed
CN-102575022-B High concentration polymer-containing mother liquor based on oils of vegetable and/or animal origin for the preparation of bitumen/polymer compositions TOTAL RAFFINAGE MARKETING 2014-08-06 — — CN disclosed
CN-102947242-A Use of organogelator molecules in bituminous compositions to improve the resistance of same to chemical stress TOTAL RAFFINAGE MARKETING 2013-02-27 — — CN disclosed
CN-102892838-A Use of organogelator derivatives in bituminous compositions to improve the resistance of same to chemical stress DREESSEN SY 2013-01-23 — — CN disclosed
CN-102575022-A High concentration polymer-containing mother liquor based on oils of vegetable and/or animal origin for the preparation of bitumen/polymer compositions TOTAL RAFFINAGE MARKETING 2012-07-11 — — CN disclosed
US-5750598-A Bitumen/polymer composition vulcanizable at temperatures below 100°C ELI FRANCE (FR) 1998-05-12 — — US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 — — EP disclosed
US-5508112-A BLENDING WITH BLOCK COPOLYMER OF STYRENE AND CONJUGATED DIENE AND A COUPLING AGENT CONTAINING A SULFUR-DONOR COMPOUND ELF FRANCE (FR) 1996-04-16 — — US disclosed
US-5382612-A Vulcanizing bitumen/elastomer mixture, road paving ELF FRANCE (FR) 1995-01-17 — — US disclosed
US-5314935-A Roadways ELF ANTAR FRANCE (FR) 1994-05-24 — — US disclosed
US-5120777-A Organonitrogen compound as coupler ELF FRANCE (FR) 1992-06-09 — — US disclosed
JP-S63175097-A COLD ROLLING OIL FOR STAINLESS STEEL PLATE NIPPON PARKERIZING CO LTD 1988-07-19 — — JP disclosed
US-4567222-A POLYSULFIDE ELF FRANCE (FR) 1986-01-28 — — US disclosed
US-4554313-A Process for preparing bitumen-polymer compositions, application of these compositions of the obtention of coverings and mother solution of polymer usable for the obtention of the said compositions SOCIETE ANONYME DITE: ELF FRANCE (FR) 1985-11-19 — — US disclosed
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