SCHEMBL688414

SCHEMBL688414

CCOc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3cccc(OC(C)C)c3)c1=O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 4/20 0.32
PPARG P37231 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ACACB O00763 1/20 0.31

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 0.95 KMT2A (0.37) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL688281 0.93 KMT2A (0.36) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL686692 0.93 SMN1; SMN2 (0.36) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL687167 0.93 KMT2A (0.37) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL686719 0.92 MEN1 (0.38) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL686619 0.92 KMT2A (0.35) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL687271 0.91 KMT2A (0.39) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL688359 0.91 KMT2A (0.35) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL686894 0.91 FFAR1 (0.38) KMT2AMEN1SMN1; SMN2FFAR1ACACB
SCHEMBL687898 0.91 KMT2A (0.38) KMT2AMEN1SMN1; SMN2HPGDLMNA

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