SCHEMBL5268643

SCHEMBL5268643

CC(C)(C)OC(=O)c1c(COc2ccc(-c3cc[c]cc3)cc2)ccc(C(F)(F)F)c1O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.74
NR1H3 Q13133 9/20 0.74
RXRA P19793 9/20 0.67
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
PTGER4 P35408 2/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
SRD5A2 P31213 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL1679291 0.87 NR1H2 (0.78) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678331 0.85 NR1H2 (1.00) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL5267508 0.85 NR1H2 (0.71) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678610 0.84 NR1H2 (0.72) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1679248 0.84 NR1H2 (0.82) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1678699 0.84 NR1H2 (0.72) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678988 0.84 NR1H2 (0.82) NR1H2NR1H3RXRAPTGER4SRD5A2
SCHEMBL1679093 0.84 NR1H2 (0.82) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678343 0.84 NR1H2 (0.72) NR1H2NR1H3RXRAPTGER4ADAMTS4
SCHEMBL1679684 0.84 NR1H2 (0.72) NR1H2NR1H3RXRAMAOBMAOA

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-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed