SCHEMBL27558011

SCHEMBL27558011

Oc1cccc2cc3c(ccc4cc5ccccc5cc43)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CTDSP1 Q9GZU7 1/20 0.55
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
HIF1A Q16665 1/20 0.52
CYP1B1 Q16678 1/20 0.52
PLAU P00749 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
HSD17B1 P14061 5/20 0.47
HSD17B2 P37059 5/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TRPM4 Q8TD43 1/20 0.46

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
SCHEMBL29355693 0.98 CYP1A2 (0.54) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL4235836 0.98 CYP1A2 (0.54) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL9066801 0.98 CYP1A2 (0.54) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL29686167 0.98 CYP1A2 (0.54) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL31235698 0.98 CYP1A2 (0.54) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL1537929 0.98 CYP1A2 (0.54) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL9067119 0.98 CYP1A2 (0.54) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL5014170 0.96 CYP1A2 (0.52) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL29396905 0.95 CYP1A2 (0.61) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A
SCHEMBL30921731 0.95 CYP1A2 (0.61) CYP1A2CTDSP1ALDH1A1HSD17B10HIF1A

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-1331739-A Fabric color care method PROCTER & GAMBLE (US) 2002-01-16 CN disclosed