SCHEMBL686959

SCHEMBL686959

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.58
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL688238 0.87 PTGER3 (0.41) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687785 0.86 PTGER3 (0.61) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686675 0.86 PTGER3 (0.64) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688027 0.86 PTGER3 (0.67) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688122 0.85 PTGER3 (0.67) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688360 0.84 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686923 0.84 ALDH1A1 (0.38) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688100 0.84 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL27587408 0.84 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687891 0.83 PTGER3 (0.69) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2

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