SCHEMBL4426523

SCHEMBL4426523

O=C(O)C[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.51
ITGA2B P08514 6/20 0.51
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
FAAH O00519 1/20 0.46
FFAR1 O14842 1/20 0.46
ITGAV P06756 4/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
ITGB8 P26012 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44

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
SCHEMBL5151908 0.90 ITGB3 (0.57) ITGB3ITGA2BGAAKMT2ANPC1
SCHEMBL688684 0.83 ITGB3 (0.53) ITGB3ITGA2BGAAKMT2ANPC1
SCHEMBL3141349 0.77 ITGB3 (0.58) ITGB3ITGA2BGAAKMT2ARAB9A
SCHEMBL4854580 0.77 GSK3B (0.51) ITGB3ITGA2BKMT2ANPC1HPGD
SCHEMBL4855345 0.77 GSK3B (0.51) ITGB3ITGA2BKMT2ANPC1HPGD
SCHEMBL4426774 0.76 KMT2A (0.50) ITGB3ITGA2BKMT2AITGAV
SCHEMBL4427887 0.76 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL4855596 0.76 RAB9A (0.52) ITGB3ITGA2BGAAKMT2ANPC1
SCHEMBL13118325 0.74 FFAR1 (0.57) KMT2AFFAR1
SCHEMBL6352863 0.73 ITGB3 (0.74) ITGB3ITGA2BKMT2ANPC1RAB9A

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