SCHEMBL9764735

SCHEMBL9764735

Cc1ccc2cc3cc4cccc(C)c4cc3cc2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.70
CYP2A6 P11509 8/20 0.70
ALDH1A1 P00352 9/20 0.58
HSD17B10 Q99714 5/20 0.58
HPGD P15428 3/20 0.58
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.37
HIF1A Q16665 2/20 0.37
CYP1B1 Q16678 1/20 0.37
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34

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
SCHEMBL6764197 1.00 CYP1A2 (0.70) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL27905506 1.00 CYP1A2 (0.70) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1309620 0.87 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5400012 0.87 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL890047 0.87 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL597293 0.87 CYP1A2 (0.63) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL598279 0.87 CYP1A2 (0.63) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6550685 0.86 CYP2A6 (0.88) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL130783 0.85 CYP1A2 (0.69) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL588278 0.84 CYP1A2 (0.84) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055452-A Skin disorders L'OREAL (FR) 1991-10-08 US disclosed
US-4879284-A SKIN DISORDERS L'OREAL (FR) 1989-11-07 US disclosed
US-4775663-A SKIN, EYE DISORDERS; ATROPHY, CARCINOMAS FROM SUNLIGHT L'OREAL (FR) 1988-10-04 US disclosed