SCHEMBL687913

SCHEMBL687913

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
CTSA P10619 5/20 0.34
PTGER3 P43115 1/20 0.33

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
SCHEMBL688582 0.92 SMN1; SMN2 (0.39) SMN1; SMN2POLBKMT2ALMNAPDE4A
SCHEMBL687617 0.92 POLB (0.38) SMN1; SMN2POLBKMT2AMEN1PDE4A
SCHEMBL687631 0.91 SMN1; SMN2 (0.49) SMN1; SMN2POLBKMT2ALMNANPSR1
SCHEMBL686879 0.90 POLB (0.36) SMN1; SMN2POLBKMT2AMEN1PDE4A
SCHEMBL687724 0.90 SMN1; SMN2 (0.36) SMN1; SMN2POLBKMT2ANPSR1ALDH1A1
SCHEMBL686627 0.89 SMN1; SMN2 (0.42) SMN1; SMN2POLBKMT2ALMNANPSR1
SCHEMBL688120 0.89 CTSA (0.42) POLBCTSA
SCHEMBL686761 0.89 SMN1; SMN2 (0.37) SMN1; SMN2POLBKMT2ANPSR1MEN1
SCHEMBL687713 0.89 CTSA (0.37) SMN1; SMN2POLBKMT2ANPSR1MEN1
SCHEMBL688419 0.88 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AALDH1A1PTGER3

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