SCHEMBL9508406

SCHEMBL9508406

CC(C)C([C]=O)CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.41
▸ XIAP P98170 1/20 0.39
▸ OPRM1 P35372 8/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ GRB2 P62993 1/20 0.38
▸ NTSR2 O95665 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ NRP1 O14786 1/20 0.37
▸ OPRK1 P41145 6/20 0.36

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
SCHEMBL7785522 0.85 OPRM1 (0.43) EPHA2XIAPOPRM1CXCR4NTSR2
SCHEMBL9614905 0.84 OPRM1 (0.38) EPHA2XIAPOPRM1CXCR4NTSR2
SCHEMBL8969918 0.84 EPHA2 (0.49) EPHA2XIAPOPRM1CXCR4GRB2
SCHEMBL7788531 0.84 CXCR4 (0.45) EPHA2XIAPOPRM1CXCR4NTSR2
SCHEMBL10378224 0.84 EPHA2 (0.48) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL10378950 0.84 EPHA2 (0.48) EPHA2XIAPOPRM1CXCR4NTSR2
SCHEMBL31303183 0.82 NRP1 (0.52) EPHA2XIAPOPRM1CXCR4GRB2
SCHEMBL7785535 0.82 NTSR2 (0.42) EPHA2OPRM1GRB2NTSR2NTSR1
SCHEMBL8970642 0.82 EPHA2 (0.47) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL31487190 0.81 NRP1 (0.47) XIAPOPRM1GRB2NTSR2NTSR1

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
EP-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 — — EP disclosed
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