SCHEMBL9225282

SCHEMBL9225282

CCCOc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.48
FFAR1 O14842 4/20 0.48
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
CYP2C9 P11712 1/20 0.42
SCN5A Q14524 1/20 0.42
GRM2 Q14416 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MCHR1 Q99705 1/20 0.41
PDK2 Q15119 1/20 0.40
PTGER4 P35408 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PPARD Q03181 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9228123 0.95 FFAR4 (0.51) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL9220561 0.93 FFAR4 (0.46) FFAR4FFAR1ALOX5APFEN1CYP2C9
SCHEMBL9227300 0.92 FFAR4 (0.49) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL9219235 0.91 FFAR4 (0.48) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL9228717 0.91 FFAR4 (0.48) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL9226385 0.91 FFAR4 (0.48) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL9223503 0.91 FFAR4 (0.48) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL9221193 0.90 FFAR4 (0.44) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL9227467 0.88 FFAR4 (0.49) FFAR4FFAR1ALOX5APFEN1RARA
SCHEMBL2056313 0.85 HRH2 (0.50) FFAR4FFAR1CYP2C9SCN5AHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-B1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed