SCHEMBL6547480

SCHEMBL6547480

CCC(C)c1ccc(Cc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
STAT3 P40763 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SRD5A2 P31213 1/20 0.39
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL6327571 0.89 ACHE (0.50) ACHEALDH1A1TSHRCYP2C9STAT3
SCHEMBL5490041 0.89 ACHE (0.50) ACHEALDH1A1TSHRCYP2C9STAT3
SCHEMBL190310 0.89 ACHE (0.50) ACHEALDH1A1TSHRCYP2C9STAT3
Dimethylamine SCHEMBL28720148 0.87 CYP2C9 (0.46) ACHEALDH1A1TSHRCYP2C9STAT3
Hydrogen Peroxide SCHEMBL2354691 0.85 ACHE (0.52) ACHEALDH1A1TSHRCYP2C9STAT3
SCHEMBL6547015 0.83 CALM1 (0.50) ALDH1A1TSHRNPC1RAB9A
SCHEMBL19187759 0.83 GRIA4 (0.51) ACHEALDH1A1TSHRCYP2C9STAT3
SCHEMBL25868780 0.82 ESR1 (0.62) ALDH1A1CYP2C9ESR1ESR2USP2
SCHEMBL6546912 0.80 BCHE (0.51) ACHEALDH1A1TSHRKEAP1NFE2L2
SCHEMBL9621606 0.80 SRD5A2 (0.42) ACHEALDH1A1ESR1ESR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3249471-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS Canon Kabushiki Kaisha (JP) 2017-11-29 EP disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed