SCHEMBL688281

SCHEMBL688281

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 2/20 0.33
FFAR1 O14842 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KCNB1 Q14721 2/20 0.31
KCNK2 O95069 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
P2RX3 P56373 1/20 0.30

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 0.95 KMT2A (0.36) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL688414 0.93 KMT2A (0.37) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL688737 0.91 FFAR1 (0.36) KMT2AMEN1FFAR1
SCHEMBL686618 0.89 KMT2A (0.37) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL687969 0.88 CTSA (0.36) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL687271 0.87 KMT2A (0.39) KMT2AMEN1HPGDLMNAPPARG
SCHEMBL686692 0.86 SMN1; SMN2 (0.36) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL687167 0.86 KMT2A (0.37) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL686619 0.86 KMT2A (0.35) KMT2AMEN1HPGDLMNAHSD17B10
SCHEMBL686719 0.86 MEN1 (0.38) KMT2AMEN1HPGDLMNAHSD17B10

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