SCHEMBL687023

SCHEMBL687023

CCOc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C3CC3)cn(Cc3ccccc3Cl)c2=O)cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 4/20 0.38
CNR2 P34972 1/20 0.38
NPSR1 Q6W5P4 4/20 0.37
POLB P06746 2/20 0.36
PTGER3 P43115 5/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL688665 0.91 PTGER3 (0.39) CNR2NPSR1PTGER3
SCHEMBL687242 0.89 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2ACNR2NPSR1
SCHEMBL686627 0.88 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKMT2ACNR2NPSR1
SCHEMBL687778 0.87 CNR2 (0.43) CNR2NPSR1PTGER3
SCHEMBL687629 0.85 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKMT2ANPSR1POLB
SCHEMBL687980 0.84 ITGB1 (0.41) SMN1; SMN2LMNAKMT2ACNR2PTGER3
SCHEMBL27762466 0.83 SMN1; SMN2 (0.35) SMN1; SMN2LMNAKMT2APOLBPTGER3
SCHEMBL686657 0.83 CTSA (0.37) SMN1; SMN2NPSR1POLBMAPT
SCHEMBL687801 0.82 FFAR1 (0.35) SMN1; SMN2LMNAKMT2A
SCHEMBL27741953 0.82 SMN1; SMN2 (0.34) SMN1; SMN2LMNAKMT2ANPSR1MAPT

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