SCHEMBL6013145

SCHEMBL6013145

CCCc1nc(NS(C)(=O)=O)c(C(=O)OC)c(-c2ccc(F)cc2)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.43
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SCN9A Q15858 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6012654 0.95 GAA (0.44) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6012775 0.90 GCGR (0.52) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6013263 0.83 GCGR (0.48) GCGRLMNANPC1CASP3RAB9A
SCHEMBL5102111 0.80 GCGR (0.60) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6013361 0.79 GCGR (0.42) GCGRLMNANPC1CASP3RAB9A
SCHEMBL5102023 0.79 GCGR (0.56) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6013378 0.78 GAA (0.41) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6013116 0.76 GCGR (0.58) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6013125 0.76 GRM6 (0.46) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6012756 0.76 GCGR (0.43) GCGRLMNANPC1CASP3RAB9A

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-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed