SCHEMBL3136451

SCHEMBL3136451

CC(C)(C)OC(=O)C[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
ITGB3 P05106 15/20 0.48
ITGA2B P08514 9/20 0.48
ITGAV P06756 7/20 0.46
EDNRA P25101 1/20 0.45
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
ITGB8 P26012 1/20 0.44
F2R P25116 1/20 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
SCHEMBL13802930 0.88 KMT2A (0.53) RAB9AKMT2AGAAITGB3ITGA2B
SCHEMBL5151576 0.88 KMT2A (0.53) RAB9AKMT2AGAAITGB3ITGA2B
SCHEMBL3141349 0.87 ITGB3 (0.58) RAB9AKMT2AGAAITGB3ITGA2B
SCHEMBL2889994 0.78 KMT2A (0.58) RAB9AKMT2AGAAEDNRA
SCHEMBL6705540 0.78 KMT2A (0.58) RAB9AKMT2AGAAEDNRA
SCHEMBL4381742 0.78 EDNRA (0.48) RAB9AKMT2AEDNRA
SCHEMBL2857614 0.78 EDNRA (0.48) RAB9AKMT2AEDNRA
SCHEMBL15238897 0.77 KMT2A (0.59) RAB9AKMT2AGAAITGB3ITGA2B
SCHEMBL15239028 0.77 KMT2A (0.59) RAB9AKMT2AGAAITGB3ITGA2B
SCHEMBL20976479 0.77 KMT2A (0.59) RAB9AKMT2AGAAITGB3ITGA2B

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-1079825-B1 COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2010-07-21 EP disclosed
US-6262084-B1 Compounds that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION 2001-07-17 US disclosed
US-6096773-A INHIBITOR OF BINDING OF INTEGRIN TO ITS RECEPTORS, SUCH AS (VASCULAR CELL ADHESION MOLECULE-1) AND FIBRONECTIN AND USEFUL FOR CONTROLLING THE DISEASES INDUCED BY BINDING TEXAS BIOTECHNOLOGY CORPORATION, INC. (US) 2000-08-01 US disclosed