SCHEMBL14767279

SCHEMBL14767279

CCOc1ccc(-c2ccc(-c3ccc(OCc4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
PPARD Q03181 8/20 0.52
PPARA Q07869 3/20 0.51
PPARG P37231 1/20 0.51
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
GYS1 P13807 4/20 0.41
PTGES O14684 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL12740526 0.95 FFAR1 (0.47) FFAR1PPARDPPARAPPARGMAOB
SCHEMBL12740532 0.94 FFAR1 (0.47) FFAR1PPARDPPARAPPARGMAOB
SCHEMBL12822890 0.94 FFAR1 (0.52) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12740531 0.94 FFAR1 (0.49) FFAR1PPARDPPARAPPARGMAOB
SCHEMBL14767069 0.94 FFAR1 (0.54) FFAR1PPARDPPARAPPARGMAOB
SCHEMBL12740520 0.93 FFAR1 (0.46) FFAR1PPARDPPARAPPARGMAOB
SCHEMBL14766999 0.93 FFAR1 (0.46) FFAR1PPARDPPARAPPARGMAOB
SCHEMBL12908520 0.91 GYS1 (0.46) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12740524 0.90 FFAR1 (0.44) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL14766680 0.90 FFAR1 (0.48) FFAR1PPARDPPARAPPARGMAOB

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
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed