SCHEMBL4424600

SCHEMBL4424600

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1cc(C)cc(Cc2ccccc2Cl)c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ITGB3 P05106 13/20 0.38
ITGAV P06756 7/20 0.38
ITGA2B P08514 8/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
F2R P25116 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL6604248 1.00 GAA (0.38) GAAITGB3ITGAVITGA2BMEN1
SCHEMBL4430638 0.93 GAA (0.38) GAAITGB3ITGAVITGA2BF2R
SCHEMBL7697653 0.91 ITGB3 (0.41) GAAITGB3ITGAVITGA2BF2R
SCHEMBL4436751 0.91 ITGB3 (0.41) GAAITGB3ITGAVITGA2BF2R
SCHEMBL4431178 0.91 ITGB3 (0.41) GAAITGB3ITGAVITGA2BF2R
SCHEMBL4424713 0.90 MEN1 (0.38) GAAITGB3ITGAVITGA2BMEN1
SCHEMBL4423197 0.90 ITGB3 (0.40) GAAITGB3ITGAVITGA2BMEN1
SCHEMBL4436812 0.90 KMT2A (0.39) GAAITGB3ITGAVITGA2BKMT2A
SCHEMBL6763118 0.89 CTSA (0.40)
SCHEMBL4426944 0.89 FPR1 (0.39) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189881-B2 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
EP-1189881-B1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2004-09-29 EP disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed