SCHEMBL687124

SCHEMBL687124

CCCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4c(C)cccc4Cl)c2=O)CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.33
ITGB3 P05106 4/20 0.32
ITGA2B P08514 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR1 O14842 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ITGAV P06756 3/20 0.32
ITGB6 P18564 1/20 0.32
CYP26A1 O43174 1/20 0.32
PYGL P06737 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
SCHEMBL687858 0.94 MEN1 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL686692 0.93 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL687750 0.91 MEN1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL687042 0.91 MEN1 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL687271 0.91 KMT2A (0.39) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL688783 0.91 CTSA (0.38) MEN1KMT2AITGB3ITGA2BFFAR1
SCHEMBL688395 0.90 MEN1 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL686847 0.89 CTSA (0.40) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL688106 0.89 KMT2A (0.41) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL688128 0.89 ITGB3 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1HPGD

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