SCHEMBL687271

SCHEMBL687271

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP26A1 O43174 1/20 0.33
PYGL P06737 1/20 0.33
PPARG P37231 2/20 0.32
ITGB3 P05106 3/20 0.32
ITGA2B P08514 2/20 0.32
ITGAV P06756 1/20 0.32
CTSA P10619 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
SCHEMBL688395 0.94 MEN1 (0.37) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL687452 0.93 KMT2A (0.38) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL687042 0.93 MEN1 (0.37) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL687858 0.92 MEN1 (0.37) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL686847 0.91 CTSA (0.40) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL688414 0.91 KMT2A (0.37) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL688106 0.91 KMT2A (0.41) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL688128 0.91 ITGB3 (0.38) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL687911 0.91 KMT2A (0.36) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL687124 0.91 SMN1; SMN2 (0.37) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1

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