SCHEMBL688582

SCHEMBL688582

CCCc1cn(Cc2c(Cl)cccc2OC)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2cccc(OCC)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.36
PTGER3 P43115 3/20 0.35
KMT2A Q03164 1/20 0.34
FFAR1 O14842 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSA P10619 4/20 0.33
PDE7A Q13946 2/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GNRHR P30968 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
SCHEMBL687724 0.96 SMN1; SMN2 (0.36) SMN1; SMN2POLBPTGER3KMT2AFFAR1
SCHEMBL687913 0.92 SMN1; SMN2 (0.47) SMN1; SMN2POLBPTGER3KMT2ACTSA
SCHEMBL688419 0.91 SMN1; SMN2 (0.35) SMN1; SMN2PTGER3KMT2AFFAR1CYP1A2
SCHEMBL688501 0.91 SMN1; SMN2 (0.40) SMN1; SMN2POLBPTGER3KMT2AFFAR1
SCHEMBL688331 0.91 SMN1; SMN2 (0.38) SMN1; SMN2POLBPTGER3KMT2AFFAR1
SCHEMBL686761 0.90 SMN1; SMN2 (0.37) SMN1; SMN2POLBKMT2ACYP2C9CYP2C19
SCHEMBL687617 0.90 POLB (0.38) SMN1; SMN2POLBPTGER3KMT2ACYP1A2
SCHEMBL686879 0.90 POLB (0.36) SMN1; SMN2POLBPTGER3KMT2ACYP1A2
SCHEMBL687881 0.89 PTGER3 (0.40) PTGER3FFAR1CYP1A2
SCHEMBL688120 0.89 CTSA (0.42) POLBCTSA

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