SCHEMBL688783

SCHEMBL688783

Cc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3cccc(OCC4CC4)c3)c1=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
FFAR1 O14842 13/20 0.38
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ACACB O00763 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
FFAR2 O15552 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
SCHEMBL686894 0.92 FFAR1 (0.38) CTSAFFAR1CHRM3MEN1KMT2A
SCHEMBL687858 0.92 MEN1 (0.37) CTSAFFAR1MEN1KMT2AITGB3
SCHEMBL687911 0.91 KMT2A (0.36) FFAR1MEN1KMT2AITGB3
SCHEMBL688324 0.91 MEN1 (0.39) CTSAFFAR1CHRM3MEN1KMT2A
SCHEMBL687124 0.91 SMN1; SMN2 (0.37) CTSAFFAR1MEN1KMT2AITGB3
SCHEMBL688415 0.90 SMN1; SMN2 (0.37) FFAR1MEN1KMT2AACACB
SCHEMBL687271 0.90 KMT2A (0.39) CTSAMEN1KMT2AITGB3ITGA2B
SCHEMBL688395 0.89 MEN1 (0.37) CTSAMEN1KMT2AITGB3
SCHEMBL688737 0.89 FFAR1 (0.36) CTSAFFAR1CHRM3MEN1KMT2A
SCHEMBL687042 0.89 MEN1 (0.37) CTSAMEN1KMT2AITGB3

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