SCHEMBL7734151

SCHEMBL7734151

CCCCCCCC[C@]12C(=O)CC[C@@H]1[C@@H]2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.40
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.35
CDC25A P30304 6/20 0.34
CDC25B P30305 6/20 0.34
CDC25C P30307 5/20 0.34
PRKCA P17252 1/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL7734459 1.00 HSD17B3 (0.40) HSD17B3MEN1POLBKMT2AKCNH2
SCHEMBL7733059 1.00 HSD17B3 (0.40) HSD17B3MEN1POLBKMT2AKCNH2
SCHEMBL7733024 0.98 MEN1 (0.39) HSD17B3MEN1POLBKMT2AKCNH2
SCHEMBL7735247 0.94 MEN1 (0.39) HSD17B3MEN1POLBKMT2A
SCHEMBL7734413 0.94 MEN1 (0.39) HSD17B3MEN1POLBKMT2A
SCHEMBL7737030 0.88 MEN1 (0.38) HSD17B3MEN1POLBKMT2A
SCHEMBL7734186 0.81 HSD17B1 (0.32) MEN1POLBKMT2A
SCHEMBL7733030 0.81 HSD17B1 (0.32) MEN1POLBKMT2A
SCHEMBL1087793 0.81 HSD17B1 (0.32) MEN1POLBKMT2A
SCHEMBL7733048 0.81 HSD17B1 (0.32) MEN1POLBKMT2A

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
US-6407284-B1 CONTACTING WITH ENZYME; HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-18 US disclosed