SCHEMBL687866

SCHEMBL687866

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)c(C)n(Cc3c(C)cccc3Cl)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 12/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
CYP26A1 O43174 1/20 0.34
PYGL P06737 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL687048 0.89 CTSA (0.41) CTSAMAPTSMN1; SMN2
SCHEMBL687805 0.88 POLB (0.39) CTSACYP26A1SMN1; SMN2
SCHEMBL686808 0.88 CTSA (0.42) CTSAALDH1A1MAPTSMN1; SMN2
SCHEMBL27741938 0.87 SMN1; SMN2 (0.42) CTSAKMT2AMEN1ALDH1A1LMNA
SCHEMBL687967 0.87 SMN1; SMN2 (0.42) CTSAKMT2AMEN1ALDH1A1LMNA
SCHEMBL687964 0.86 PPARG (0.40) CTSACYP26A1PYGLSMN1; SMN2
SCHEMBL687910 0.86 MEN1 (0.39) CTSAKMT2AMEN1KEAP1NFE2L2
SCHEMBL688146 0.85 CTSA (0.41) CTSAKMT2AMEN1KEAP1NFE2L2
SCHEMBL688543 0.84 SMN1; SMN2 (0.38) CTSAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL688193 0.82 CTSA (0.39) CTSAMAPTSMN1; 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