SCHEMBL8901280

SCHEMBL8901280

CC(C)(C)OC(=O)N1CCC(CCNS(=O)(=O)c2cccc(C(=O)O)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.64
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
STS P08842 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
SCHEMBL8902516 0.84 TGFBR1 (0.53) TGFBR1KDM4EPKM
SCHEMBL4618454 0.79 SFRP1 (0.73) TGFBR1
SCHEMBL14695860 0.79 TGFBR1 (0.79) TGFBR1KDM4EPKM
SCHEMBL14696176 0.79 TGFBR1 (0.79) TGFBR1
SCHEMBL1532734 0.78 KDM4E (0.57) TGFBR1KDM4EPKMSTS
SCHEMBL8890529 0.78 TGFBR1 (0.53) TGFBR1KDM4EPKMSTS
SCHEMBL14707196 0.78 TGFBR1 (0.77) TGFBR1
SCHEMBL14696261 0.78 TGFBR1 (0.77) TGFBR1
SCHEMBL31470237 0.78 TGFBR1 (0.56) TGFBR1STS
SCHEMBL3644720 0.78 MAPT (0.62) KDM4E

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-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed