SCHEMBL1407894

SCHEMBL1407894

CCOP(=O)(Cc1ccc(COc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)cc1)OCC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.59
NR1H3 Q13133 15/20 0.59
NR1I2 O75469 2/20 0.45
NR3C1 P04150 2/20 0.45
AR P10275 1/20 0.43
RXRA P19793 1/20 0.43
ESR1 P03372 1/20 0.40
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL1407639 0.92 NR1H2 (0.57) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1406905 0.89 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3863717 0.88 NR1H2 (0.77) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27710182 0.85 NR1H2 (0.69) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3859782 0.85 NR1H2 (0.72) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407896 0.84 NR1H2 (0.57) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407271 0.84 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407090 0.84 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407677 0.83 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408088 0.82 NR1H2 (0.67) NR1H2NR1H3NR1I2NR3C1AR

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-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed