SCHEMBL687751

SCHEMBL687751

CCCOc1ccc(Cl)c(Cn2cc(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CTSA P10619 4/20 0.36
POLB P06746 1/20 0.35
CYP26A1 O43174 3/20 0.34
ACACB O00763 2/20 0.33
FFAR1 O14842 1/20 0.33
P2RX3 P56373 1/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
PTGER3 P43115 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
SCHEMBL687893 0.94 NPSR1 (0.37) GAARXFP1CTSAPOLBCYP26A1
SCHEMBL687342 0.91 CTSA (0.41) ALDH1A1RXFP1CTSAPOLBPTGER3
SCHEMBL688112 0.90 KMT2A (0.41) SMN1; SMN2CTSAPOLBCYP26A1P2RX3
SCHEMBL687773 0.86 CTSA (0.41) CTSACYP26A1PTGER3
SCHEMBL29371834 0.84 PTGER3 (0.44) CTSAPTGER3
SCHEMBL686896 0.84 PTGER3 (0.44) CTSAPTGER3
SCHEMBL688125 0.84 CTSA (0.46) ALDH1A1LMNARXFP1CTSACYP26A1
SCHEMBL688286 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTRXFP1
SCHEMBL688008 0.83 CTSA (0.41) SMN1; SMN2GAAALDH1A1LMNACTSA
SCHEMBL686842 0.81 PTGER3 (0.45) ALDH1A1MAPTRXFP1CTSAPTGER3

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