SCHEMBL8969918

SCHEMBL8969918

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.49
XIAP P98170 1/20 0.45
NTSR2 O95665 9/20 0.45
NTSR1 P30989 9/20 0.45
SORT1 Q99523 9/20 0.45
CALCRL Q16602 3/20 0.44
GRB2 P62993 1/20 0.41
OPRM1 P35372 1/20 0.41
CXCR4 P61073 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL8970642 0.97 EPHA2 (0.47) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL10378950 0.94 EPHA2 (0.48) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL10378224 0.94 EPHA2 (0.48) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL10533153 0.91 EPHA2 (0.49) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL10378610 0.89 EPHA2 (0.49) EPHA2NTSR2NTSR1SORT1CALCRL
SCHEMBL30676238 0.89 EPHA2 (0.46) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL7788531 0.88 CXCR4 (0.45) EPHA2XIAPNTSR2NTSR1SORT1
SCHEMBL30118981 0.88 EPHA2 (0.47) EPHA2CALCRLGRB2
SCHEMBL9551316 0.88 EPHA2 (0.59) EPHA2NTSR2NTSR1SORT1CALCRL
SCHEMBL29466793 0.87 EPHA2 (0.47) EPHA2CALCRLKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502926-B1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE POULENC RORER INT (US) 1996-03-13 EP claimed
EP-0502926-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1992-09-16 EP claimed
EP-0502926-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INTERNAT H (US) 1992-07-13 EP claimed
US-5053392-A Anticoagulants RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-01 US claimed
WO-1991007976-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-06-13 WO claimed
EP-0502926-B1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE POULENC RORER INT (US) 1996-03-13 EP disclosed
US-5053392-A Anticoagulants RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-01 US disclosed