SCHEMBL688595

SCHEMBL688595

O=C(O)C[C@H](NC(=O)Nc1cccn(CC2=CC=CCC2=S)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.49
WDR5 P61964 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CTSA P10619 2/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL688851 0.92 PTGER3 (0.43) PTGER3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL687577 0.90 PTGER3 (0.44) PTGER3ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL687832 0.89 PTGER3 (0.41) PTGER3ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL686924 0.88 PTGER3 (0.39) PTGER3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL687241 0.88 PTGER3 (0.50) PTGER3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL688384 0.86 KDM4E (0.42) PTGER3ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL686747 0.86 MEN1 (0.39) PTGER3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL687918 0.85 KDM4E (0.44) PTGER3ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL688135 0.84 PTGER3 (0.45) PTGER3ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL687937 0.83 PTGER3 (0.45) PTGER3ALDH1A1KDM4ESMN1; SMN2KMT2A

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