SCHEMBL688684

SCHEMBL688684

O=C(O)C[C@H](NC(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.53
ITGAV P06756 1/20 0.53
KMT2A Q03164 5/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MEN1 O00255 2/20 0.52
ITGA2B P08514 5/20 0.52
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CCR2 P41597 1/20 0.48
GAA P10253 1/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4426523 0.83 ITGB3 (0.51) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL3141349 0.81 ITGB3 (0.58) ITGB3ITGAVKMT2ARAB9AMEN1
SCHEMBL688065 0.79 RAB9A (0.55) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL27553620 0.79 RAB9A (0.55) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL6352863 0.79 ITGB3 (0.74) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL27182521 0.78 ITGB3 (0.56) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL7834692 0.78 ITGB3 (0.54) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL686712 0.77 ITGB3 (0.52) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL688104 0.77 ITGB3 (0.47) ITGB3ITGAVKMT2ARAB9ANPC1
SCHEMBL5151908 0.76 ITGB3 (0.57) ITGB3ITGAVKMT2ARAB9ANPC1

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-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed