SCHEMBL4418147

SCHEMBL4418147

OC(c1ccc2c(ccn2Cc2cccc(-c3ccccc3)c2)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PLAU P00749 2/20 0.44
PLG P00747 1/20 0.44
GLO1 Q04760 1/20 0.43
ERBB2 P04626 1/20 0.43
HTR6 P50406 1/20 0.42
APP P05067 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL1811641 0.90 APP (0.49) PLAUPLGERBB2APPPPARD
SCHEMBL1812436 0.80 PGR (0.42) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL4943561 0.78 ERBB2 (0.58) ERBB2HTR6APPPPARDPPARA
SCHEMBL5795018 0.75 HTR6 (0.62) PPARGPLAUPLGGLO1ERBB2
SCHEMBL4942869 0.75 HTR6 (0.62) PPARGPLAUPLGGLO1ERBB2
SCHEMBL4414816 0.74 PPARD (0.39) PPARGPLAUPLGERBB2APP
SCHEMBL15601470 0.73 HTR6 (0.49) PPARGPLAUPLGHTR6EPHX2
SCHEMBL4943570 0.73 HTR6 (0.53) PPARGGLO1ERBB2HTR6APP
SCHEMBL4990087 0.73 HTR6 (0.53) PPARGGLO1ERBB2HTR6APP
SCHEMBL5557629 0.72 PGR (0.42) ERBB2PGRNR1H3KCNQ3KCNQ2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP claimed