SCHEMBL687765

SCHEMBL687765

CCOc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)ccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HMGCR P04035 1/20 0.37
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER3 P43115 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
S1PR1 P21453 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL686857 0.93 SMN1; SMN2 (0.41) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL687890 0.93 KMT2A (0.39) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL686816 0.89 MEN1 (0.38) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL688605 0.88 MEN1 (0.41) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL688336 0.88 HPGD (0.38) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL688680 0.87 MEN1 (0.41) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL687806 0.86 MEN1 (0.41) KMT2AMEN1HMGCRSMN1; SMN2LMNA
SCHEMBL688658 0.86 MEN1 (0.43) KMT2AMEN1HMGCRSMN1; SMN2LMNA
SCHEMBL688345 0.86 MEN1 (0.41) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL687980 0.86 ITGB1 (0.41) KMT2AITGB1ITGA4SMN1; SMN2LMNA

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