SCHEMBL688395

SCHEMBL688395

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB3 P05106 5/20 0.33
ITGAV P06756 5/20 0.33
CYP26A1 O43174 1/20 0.32
PYGL P06737 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
CTSA P10619 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ITGB5 P18084 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
SCHEMBL687271 0.94 KMT2A (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688128 0.93 ITGB3 (0.38) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687042 0.92 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687858 0.92 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL686847 0.91 CTSA (0.40) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688106 0.90 KMT2A (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687911 0.90 KMT2A (0.36) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687124 0.90 SMN1; SMN2 (0.37) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687341 0.90 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688415 0.90 SMN1; SMN2 (0.37) MEN1KMT2AHPGDALDH1A1SMN1; SMN2

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