SCHEMBL7733090

SCHEMBL7733090

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.33
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7734509 1.00 ACE (0.33) ACEFNTAFNTBPOLBMEN1
SCHEMBL7724362 0.84 FNTA (0.36) ACEFNTAFNTBPOLB
SCHEMBL7734487 0.84 FNTA (0.36) ACEFNTAFNTBPOLB
SCHEMBL7733030 0.81 HSD17B1 (0.32) POLBMEN1KMT2A
SCHEMBL7733048 0.81 HSD17B1 (0.32) POLBMEN1KMT2A
SCHEMBL7734186 0.81 HSD17B1 (0.32) POLBMEN1KMT2A
SCHEMBL1087793 0.81 HSD17B1 (0.32) POLBMEN1KMT2A
SCHEMBL7737030 0.79 MEN1 (0.38) POLBMEN1KMT2A
SCHEMBL7734441 0.77
SCHEMBL7733945 0.77

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