SCHEMBL14766882

SCHEMBL14766882

C=CCCOc1ccc(COc2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.36
FFAR1 O14842 8/20 0.36
PPARA Q07869 4/20 0.35
PPARG P37231 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
GYS1 P13807 4/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
NAAA Q02083 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL14766837 0.95 GABRA1 (0.35) PPARDFFAR1PPARAPPARGGABRA1
SCHEMBL14766718 0.95 PPARD (0.36) PPARDFFAR1PPARAGABRA1GABRB2
SCHEMBL14766829 0.95 FFAR1 (0.36) PPARDFFAR1PPARAPPARGGABRA1
SCHEMBL14766954 0.93 GABRA1 (0.35) PPARDFFAR1PPARAPPARGGABRA1
SCHEMBL14766790 0.93 GABRA1 (0.35) PPARDFFAR1PPARAPPARGGABRA1
SCHEMBL14767035 0.92 GABRA1 (0.34) PPARDFFAR1PPARAGABRA1GABRB2
SCHEMBL14766702 0.92 GYS1 (0.41) PPARDFFAR1PPARAPPARGGABRA1
SCHEMBL12740429 0.91 PPARD (0.35) PPARDFFAR1PPARAPPARGGYS1
SCHEMBL14766852 0.91 GABRA1 (0.36) PPARDFFAR1PPARAPPARGGABRA1
SCHEMBL14766389 0.91 GABRA1 (0.36) GABRA1GABRB2FFAR4NAAA

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