SCHEMBL31434

SCHEMBL31434

Cc1ccc(C(=O)c2ccc(-c3ccc(O)cc3)s2)cc1O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 19/20 0.79
HSD17B2 P37059 16/20 0.74
CLK1 P49759 1/20 0.56
DYRK1A Q13627 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL31475 0.88 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL30431 0.85 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL31128 0.83 HSD17B1 (1.00) HSD17B1HSD17B2CLK1DYRK1ADYRK1B
SCHEMBL24752 0.80 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL22898 0.78 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL26709339 0.78 HSD17B1 (0.83) HSD17B1HSD17B2
SCHEMBL11323456 0.77 HTT (0.75) HSD17B1HSD17B2CLK1DYRK1ADYRK1B
SCHEMBL22709 0.75 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL21776 0.74 HSD17B2 (0.55) HSD17B1HSD17B2MAPK11MAPK14
SCHEMBL1758255 0.73 HTT (0.61) HSD17B1HSD17B2CLK1DYRK1ADYRK1B

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
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed