SCHEMBL7320818

SCHEMBL7320818

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.69
MME P08473 1/20 0.52
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47

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
SCHEMBL7320279 0.92 BIRC2 (0.76) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL7314248 0.84 BIRC2 (0.66) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL7319199 0.82 MME (0.71) BIRC2MME
SCHEMBL7319202 0.82 MME (0.71) BIRC2MME
SCHEMBL7319195 0.82 MME (0.71) BIRC2MME
SCHEMBL7321398 0.82 MME (0.71) BIRC2MME
SCHEMBL7309896 0.82 BIRC2 (0.70) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL7321243 0.81 BIRC2 (0.69) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL7313729 0.81 BIRC2 (0.62) BIRC2MMECYP2C9
SCHEMBL7321252 0.81 BIRC2 (0.62) BIRC2MMECYP2C9

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed