SCHEMBL4428312

SCHEMBL4428312

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1c(=O)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.41
ITGAV P06756 5/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CMA1 P23946 2/20 0.39
ITGA2B P08514 5/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4434047 0.93 KMT2A (0.47) ITGB3ITGAVGAAKMT2AMEN1
SCHEMBL4552119 0.83 GAA (0.43) ITGB3ITGAVGAAKMT2AITGA2B
SCHEMBL4426938 0.83 ITGB3 (0.41) ITGB3ITGAVGAAKMT2AITGA2B
SCHEMBL4426804 0.83 USP2 (0.40) ITGB3ITGAVGAAKMT2AMEN1
SCHEMBL4428522 0.81 ITGB3 (0.40) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4426505 0.81 ITGB3 (0.44) ITGB3ITGAVGAAKMT2AMEN1
SCHEMBL4436976 0.80 ITGB3 (0.42) ITGB3ITGAVGAAKMT2AITGA2B
SCHEMBL4434014 0.80 ITGB3 (0.42) ITGB3ITGAVGAAKMT2AITGA2B
SCHEMBL4426774 0.80 KMT2A (0.50) ITGB3ITGAVKMT2AMEN1USP2
SCHEMBL4428449 0.79 ITGB3 (0.42) ITGB3ITGAVGAAKMT2AITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed