SCHEMBL7823055

SCHEMBL7823055

CCC1Oc2ccc(C(CC(=O)O)NC(=O)CNC(=O)c3cccc(NC(=N)N)c3)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.43
ITGA2B P08514 6/20 0.43
ITGAV P06756 13/20 0.42
ITGB1 P05556 7/20 0.42
ITGA5 P08648 7/20 0.42
ITGB6 P18564 5/20 0.42
ITGB5 P18084 3/20 0.42
ITGB8 P26012 3/20 0.42
ITGA8 P53708 3/20 0.42
MDM2 Q00987 3/20 0.39
MDM4 O15151 3/20 0.39
F2 P00734 2/20 0.38
F7 P08709 2/20 0.38

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
SCHEMBL7835572 0.86 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7835493 0.86 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6777052 0.86 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL242674 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6778464 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6778074 0.82 GPR139 (0.47) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6776850 0.82 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6776866 0.82 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6779116 0.82 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL6779560 0.82 ITGB3 (0.50) ITGB3ITGA2BITGAVITGB1ITGA5

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed