SCHEMBL7833465

SCHEMBL7833465

CCC1Oc2ccc(CC(NC(=O)CNC(=O)c3cccc(NC(=O)Nc4ccccc4)c3)C(=O)O)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGAV P06756 12/20 0.44
ITGB1 P05556 3/20 0.43
ITGA5 P08648 1/20 0.43
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 1/20 0.40
ITGA4 P13612 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGB5 P18084 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7338950 0.85 HSD17B10 (0.56) ITGB1HSD17B10ITGA4MEN1KMT2A
SCHEMBL7843541 0.82 MEN1 (0.40) ITGB3ITGAVITGB1ITGA5HSD17B10
SCHEMBL6783293 0.79 HSD17B10 (0.54) HSD17B10MEN1KMT2ALMNAMAPK1
SCHEMBL7377590 0.78 GSK3B (0.58) ITGB3ITGAVITGB1HSD17B10ITGA4
SCHEMBL7835493 0.78 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7833496 0.77 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5KMT2A
SCHEMBL7337671 0.77 GPR132 (0.54) EPHX2
SCHEMBL7832738 0.73 GPR132 (0.47) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7823055 0.73 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6778765 0.73 HSD17B10 (0.55) HSD17B10MEN1KMT2ALMNAMAPK1

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