SCHEMBL688741

SCHEMBL688741

CCOc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccc4cc(OC)ccc4c3)c1=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CTSA P10619 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
FFAR1 O14842 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PTGER3 P43115 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL686618 0.91 KMT2A (0.37) SMN1; SMN2KMT2AMEN1HPGDHSD17B10
SCHEMBL687167 0.89 KMT2A (0.37) SMN1; SMN2KMT2AMEN1HPGDHSD17B10
SCHEMBL686719 0.89 MEN1 (0.38) SMN1; SMN2KMT2AMEN1HPGDHSD17B10
SCHEMBL688414 0.89 KMT2A (0.37) SMN1; SMN2KMT2AMEN1HPGDHSD17B10
SCHEMBL687480 0.89 CTSA (0.36) SMN1; SMN2CTSAKMT2AMEN1HPGD
SCHEMBL686692 0.88 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AMEN1HPGDHSD17B10
SCHEMBL686619 0.88 KMT2A (0.35) SMN1; SMN2KMT2AMEN1HPGDHSD17B10
SCHEMBL688265 0.87 PTGER3 (0.42) SMN1; SMN2CTSAKMT2AMEN1HPGD
SCHEMBL688603 0.87 KMT2A (0.36) SMN1; SMN2CTSAKMT2AMEN1HPGD
SCHEMBL688359 0.87 KMT2A (0.35) SMN1; SMN2KMT2AMEN1HPGDHSD17B10

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