SCHEMBL687933

SCHEMBL687933

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2cccc(C(F)(F)F)c2)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.53
ATM Q13315 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGAV P06756 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
ITGA2B P08514 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
KMT2A Q03164 2/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL687518 0.92 LMNA (0.46) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL27587415 0.92 LMNA (0.46) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL687571 0.90 ALDH1A1 (0.50) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL686838 0.88 PTGER3 (0.51) PTGER3MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL688224 0.88 PTGER3 (0.51) PTGER3MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL695420 0.87 MAPT (0.54) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL688325 0.86 ALDH1A1 (0.51) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4700630 0.85 MAPT (0.44) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL686731 0.85 MAPT (0.55) PTGER3MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL688073 0.85 ALDH1A1 (0.44) PTGER3MAPTALDH1A1KDM4ESMN1; 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