SCHEMBL7330719

SCHEMBL7330719

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.44
BIRC2 Q13490 3/20 0.43
ALDH1A1 P00352 2/20 0.40
CPB2 Q96IY4 1/20 0.38
PSMB5 P28074 1/20 0.38
FOLH1 Q04609 1/20 0.36
CAPN9 O14815 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL7334255 0.85 REN (0.41) RENALDH1A1CPB2PSMB5CAPN9
SCHEMBL7328043 0.84 CTSK (0.49) RENPSMB5
SCHEMBL21485282 0.76 BIRC2 (0.53) BIRC2ALDH1A1FOLH1TAS1R3TAS1R1
SCHEMBL8972173 0.76 BIRC2 (0.53) BIRC2ALDH1A1FOLH1TAS1R3TAS1R1
SCHEMBL7326205 0.76 ALDH1A1 (0.46) RENALDH1A1CPB2FOLH1
SCHEMBL23133171 0.76 BIRC2 (0.53) BIRC2ALDH1A1FOLH1TAS1R3TAS1R1
SCHEMBL7328497 0.76 CTSK (0.56) RENBIRC2PSMB5
SCHEMBL7332515 0.74 BIRC2 (0.57) RENBIRC2FOLH1TAS1R3TAS1R1
SCHEMBL7327842 0.74 BIRC2 (0.46) BIRC2FOLH1TAS1R3TAS1R1
SCHEMBL7327847 0.74 BIRC2 (0.46) BIRC2FOLH1TAS1R3TAS1R1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510531-A ANTIINFLAMMATROY AGENTS, MUSCULAR DISORDERS SUNTORY LIMITED (JP) 1996-04-23 US disclosed
EP-0393457-B1 Proteinase inhibitor SUNTORY LTD (JP) 1994-07-06 EP disclosed
US-5081284-A N-Oxomethyl-Substituted Peptide SUNTORY LIMITED (JP) 1992-01-14 US disclosed
EP-0393457-A1 Proteinase inhibitor SUNTORY LIMITED (JP) 1990-10-24 EP disclosed