SCHEMBL687648

SCHEMBL687648

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccc(Cc3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
ITGB3 P05106 4/20 0.46
ITGAV P06756 3/20 0.46
CYP26A1 O43174 2/20 0.46
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
CTSA P10619 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ITGA2B P08514 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL27553827 0.89 ITGB3 (0.44) ITGB3ITGAV
SCHEMBL27553828 0.89 ITGB3 (0.44) ITGB3ITGAV
SCHEMBL9304020 0.83 KMT2A (0.57) MEN1KMT2AMAPTSAE1UBA2
SCHEMBL9304024 0.83 KMT2A (0.57) MEN1KMT2AMAPTSAE1UBA2
SCHEMBL9304030 0.83 KMT2A (0.57) MEN1KMT2AMAPTSAE1UBA2
SCHEMBL5408556 0.80 UTS2R (0.57) CYP26A1CTSASMN1; SMN2
SCHEMBL687855 0.76 TAS1R3 (0.43) MAPTCYP26A1KEAP1NFE2L2CTSA
SCHEMBL13410007 0.76 MEN1 (0.44) MEN1KMT2AMAPTSAE1UBA2
SCHEMBL20545977 0.72 CYP26A1 (0.38) MEN1KMT2AMAPTSAE1UBA2
SCHEMBL20545975 0.72 CYP26A1 (0.38) MEN1KMT2AMAPTSAE1UBA2

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 3 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-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 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