SCHEMBL687577

SCHEMBL687577

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 14/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL688384 0.92 KDM4E (0.42) PTGER3ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL687832 0.91 PTGER3 (0.41) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL688595 0.90 PTGER3 (0.49) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL687241 0.90 PTGER3 (0.50) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL686924 0.87 PTGER3 (0.39) PTGER3ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL687918 0.87 KDM4E (0.44) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL688851 0.86 PTGER3 (0.43) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL688135 0.86 PTGER3 (0.45) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL686747 0.85 MEN1 (0.39) PTGER3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL687937 0.85 PTGER3 (0.45) PTGER3ALDH1A1KDM4EMEN1KMT2A

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