SCHEMBL6835951

SCHEMBL6835951

CC(C)c1ccc(C(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.74
CES2 O00748 2/20 0.74
CES1 P23141 2/20 0.74
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C9 P11712 2/20 0.46
USP5 P45974 1/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6835950 0.94 LMNA (0.71) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL11372429 0.90 CES2 (0.58) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL319403 0.88 LMNA (0.88) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL27609009 0.86 LMNA (0.84) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL4557692 0.86 LMNA (0.91) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL2025536 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL145 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL901258 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL10665271 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL5833429 0.86 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP claimed
CN-107011498-B Radiation curable compounds IGM集团公司 2020-05-12 CN disclosed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
EP-0564282-B1 Bis-dithiobenzilnickel complexes for use in near-infrared absorbing materials and benzoin derivatives as intermediates therefor JUJO PAPER CO LTD (JP) 1996-07-03 EP disclosed
US-5484689-A SUBSTRATE WITH OPTICAL RECORDING LAYER AND COLORLESSS DYE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-01-16 US disclosed
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP disclosed
US-4783393-A UNSYMMETRICAL BIS/1,2-DIPHENYL-1,2-ETHANEDITHIOLATO/2-/-S,S*/-PLATINUM COMPOUNDS EASTMAN KODAK COMPANY (US) 1988-11-08 US disclosed
US-4770870-A BY ALSO ADMINISTERING A THIO COMPOUND, I.E. CYSTEINE; ANTICANCER AGENT ASTA PHARMA AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed