SCHEMBL7322874

SCHEMBL7322874

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c1ccc(NC(=N)N)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.47
ITGB1 P05556 6/20 0.47
ITGAV P06756 6/20 0.47
ITGA5 P08648 6/20 0.47
MDM2 Q00987 5/20 0.47
MDM4 O15151 3/20 0.47
ITGA2B P08514 2/20 0.45
F7 P08709 12/20 0.43
F2 P00734 6/20 0.43
F10 P00742 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL7329305 0.95 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7317973 0.90 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7328446 0.90 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5MDM2
Trifluoroacetic Acid SCHEMBL7326644 0.85 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7328390 0.84 ITGB1 (0.45) ITGB3ITGB1ITGA2B
SCHEMBL7326730 0.83 ITGB3 (0.41) ITGB3ITGA2BF7F2
Trifluoroacetic Acid SCHEMBL7321339 0.80 CTSB (0.41) ITGB1F7
SCHEMBL7306316 0.80 ITGB3 (0.51) ITGB3ITGA2BF10
SCHEMBL7315631 0.80 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7305759 0.78 ITGB3 (0.54) ITGB3ITGA2BF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP disclosed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP disclosed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed