SCHEMBL13586331

SCHEMBL13586331

CCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.45
▸ PPARD Q03181 9/20 0.45
▸ PPARA Q07869 3/20 0.45
▸ PPARG P37231 1/20 0.45
▸ GYS1 P13807 4/20 0.41
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ FAAH O00519 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
SCHEMBL12823294 0.89 FFAR1 (0.45) FFAR1PPARDPPARAPPARG
SCHEMBL14767279 0.89 FFAR1 (0.52) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12719262 0.89 FFAR1 (0.43) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12907850 0.88 FFAR1 (0.41) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12719196 0.88 GYS1 (0.40) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12740531 0.88 FFAR1 (0.49) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12823353 0.87 FAAH (0.40) FFAR1PPARDFAAH
SCHEMBL10303133 0.87 FFAR1 (0.41) FFAR1PPARDFAAH
SCHEMBL12740526 0.86 FFAR1 (0.47) FFAR1PPARDPPARAPPARGGYS1
SCHEMBL12822541 0.86 FFAR1 (0.38) FFAR1PPARDPPARAPPARGGYS1

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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