SCHEMBL29918191

SCHEMBL29918191

Cc1cc(C)c(-c2cccc3c2ccc2c4ccccc4ccc32)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.50
CYP2A6 P11509 5/20 0.50
HPRT1 P00492 3/20 0.50
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CRHR1 P34998 3/20 0.43
HIF1A Q16665 2/20 0.42
CYP1B1 Q16678 1/20 0.42
DHFR P00374 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL20609436 0.91 CYP2A6 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL28073836 0.79 ALDH1A1 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL31122684 0.78 HPRT1 (0.67) CYP1A2CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL598859 0.77 CYP1A2 (0.63) CYP1A2CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL28322645 0.77 HPRT1 (0.58) CYP1A2CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL28376294 0.77 HPRT1 (0.58) CYP1A2CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL1132842 0.77 CYP2A6 (0.62) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL29801671 0.77 CYP2A6 (0.62) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL25978038 0.77 HPRT1 (0.64) CYP1A2CYP2A6HPRT1ALDH1A1HSD17B10
SCHEMBL15673166 0.76 PABPC1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069473-B Compositions and methods for lightening skin and reducing hyperpigmentation 港大科桥有限公司 2022-09-16 CN disclosed