SCHEMBL9650229

SCHEMBL9650229

Cc1[c]ccc(F)c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
PTGS2 P35354 6/20 0.33
MAPK14 Q16539 3/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
GCGR P47871 1/20 0.31
MAOB P27338 1/20 0.31
PTGS1 P23219 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL1980538 0.84 ACHE (0.36) ACHEPTGS2MAPK14CSNK1A1CSNK1D
SCHEMBL4201612 0.79 MAOB (0.36) ACHEPTGS2MAPK14MAOBPTGS1
SCHEMBL9559536 0.78 MAOB (0.31) PTGS2MAOBPTGS1NPC1RAB9A
SCHEMBL17514924 0.76
SCHEMBL455383 0.73
SCHEMBL17514585 0.73 CYP1A1 (0.39) PTGS2
SCHEMBL17515021 0.72
SCHEMBL1981264 0.72 ACHE (0.36) ACHEPTGS2PTGS1
SCHEMBL17514502 0.72 HSD11B1 (0.40)
SCHEMBL9559560 0.72 ACHE (0.36) ACHEPTGS2MAPK14PTGS1

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
US-5120848-A Anticholesterol and antilipemic agents; hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitors GLAXO GROUP LIMITED (GB) 1992-06-09 US disclosed
US-5013749-A Imidazole derivatives and their use as hypercholesterolemia and hyperlipoproteinemia agents GLAXO GROUP LIMITED (GB) 1991-05-07 US disclosed