SCHEMBL687617

SCHEMBL687617

CCCc1cn(Cc2c(Cl)cccc2OC)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)c(OC)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER3 P43115 3/20 0.35
CTSA P10619 5/20 0.35
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDE4A P27815 1/20 0.33
PDE7A Q13946 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP26A1 O43174 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL686879 0.96 POLB (0.36) POLBSMN1; SMN2PTGER3CTSAKMT2A
SCHEMBL688120 0.92 CTSA (0.42) POLBCTSA
SCHEMBL687913 0.92 SMN1; SMN2 (0.47) POLBSMN1; SMN2PTGER3CTSAKMT2A
SCHEMBL688604 0.91 POLB (0.41) POLBSMN1; SMN2PTGER3CTSAKMT2A
SCHEMBL688582 0.90 SMN1; SMN2 (0.39) POLBSMN1; SMN2PTGER3CTSAKMT2A
SCHEMBL688358 0.87 POLB (0.39) POLBSMN1; SMN2PTGER3CTSAKMT2A
SCHEMBL687082 0.87 POLB (0.39) POLBSMN1; SMN2CTSAKMT2ACYP2C9
SCHEMBL687713 0.86 CTSA (0.37) POLBSMN1; SMN2CTSAKMT2AMEN1
SCHEMBL687724 0.85 SMN1; SMN2 (0.36) POLBSMN1; SMN2PTGER3CTSAKMT2A
SCHEMBL687631 0.85 SMN1; SMN2 (0.49) POLBSMN1; SMN2CTSAKMT2APDE4A

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 2 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-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed