SCHEMBL687832

SCHEMBL687832

O=C(O)C[C@H](NC(=O)Nc1cccn(CC2=CC=CCC2=S)c1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ITGB1 P05556 4/20 0.39
ITGA4 P13612 4/20 0.39
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL687918 0.94 KDM4E (0.44) PTGER3KDM4EALDH1A1POLBLMNA
SCHEMBL688384 0.94 KDM4E (0.42) PTGER3KDM4EALDH1A1POLBLMNA
SCHEMBL687937 0.92 PTGER3 (0.45) PTGER3KDM4EALDH1A1POLBMEN1
SCHEMBL686747 0.92 MEN1 (0.39) PTGER3KDM4EALDH1A1POLBLMNA
SCHEMBL687577 0.91 PTGER3 (0.44) PTGER3KDM4EALDH1A1LMNAMEN1
SCHEMBL688851 0.91 PTGER3 (0.43) PTGER3KDM4EALDH1A1POLBLMNA
SCHEMBL687241 0.90 PTGER3 (0.50) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL688135 0.89 PTGER3 (0.45) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL688595 0.89 PTGER3 (0.49) PTGER3KDM4EALDH1A1LMNAMEN1
SCHEMBL687885 0.88 PTGER3 (0.40) PTGER3KDM4EALDH1A1MEN1KMT2A

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