SCHEMBL6013263

SCHEMBL6013263

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.48
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
DHODH Q02127 1/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6013116 0.88 GCGR (0.58) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6013145 0.83 GCGR (0.43) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6013125 0.83 GRM6 (0.46) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6012756 0.80 GCGR (0.43) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6013044 0.80 ACHE (0.48) GCGRLMNANPC1RAB9APOLB
SCHEMBL6013361 0.79 GCGR (0.42) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6012654 0.79 GAA (0.44) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6012892 0.78 GCGR (0.41) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6012859 0.78 GCGR (0.50) GCGRLMNANPC1CASP3RAB9A
SCHEMBL6013378 0.78 GAA (0.41) GCGRLMNANPC1RAB9ASMN1; 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-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