SCHEMBL688737

SCHEMBL688737

CCOc1ccc(Cl)c(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3cccc(OCC4CC4)c3)c1=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.36
CTSA P10619 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM3 P20309 1/20 0.32
ACACB O00763 3/20 0.32
ACACA Q13085 2/20 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
SCHEMBL686877 0.94 KMT2A (0.36) FFAR1MEN1KMT2A
SCHEMBL686894 0.94 FFAR1 (0.38) FFAR1CTSAMEN1KMT2ACHRM3
SCHEMBL688281 0.91 KMT2A (0.36) FFAR1MEN1KMT2A
SCHEMBL688783 0.89 CTSA (0.38) FFAR1CTSAMEN1KMT2ACHRM3
SCHEMBL686618 0.88 KMT2A (0.37) FFAR1MEN1KMT2A
SCHEMBL686619 0.86 KMT2A (0.35) FFAR1MEN1KMT2A
SCHEMBL688324 0.86 MEN1 (0.39) FFAR1CTSAMEN1KMT2ACHRM3
SCHEMBL687969 0.86 CTSA (0.36) CTSAMEN1KMT2AACACB
SCHEMBL686692 0.85 SMN1; SMN2 (0.36) FFAR1MEN1KMT2A
SCHEMBL688359 0.85 KMT2A (0.35) FFAR1MEN1KMT2AACACB

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