SCHEMBL688415

SCHEMBL688415

Cc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3cccc(OC4CCC4)c3)c1=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ITGB1 P05556 3/20 0.33
ITGA4 P13612 3/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 3/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP26A1 O43174 1/20 0.31
GAA P10253 1/20 0.31
PYGL P06737 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 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
SCHEMBL687911 0.98 KMT2A (0.36) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL687930 0.90 KMT2A (0.40) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL687271 0.90 KMT2A (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL688359 0.90 KMT2A (0.35) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL686619 0.90 KMT2A (0.35) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL688783 0.90 CTSA (0.38) KMT2AMEN1FFAR1ACACB
SCHEMBL687858 0.90 MEN1 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL688395 0.90 MEN1 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL688387 0.89 KMT2A (0.40) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL687042 0.89 MEN1 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1HTT

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