SCHEMBL15460652

SCHEMBL15460652

CCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(OC=C(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
ALOX5 P09917 3/20 0.32
PPARG P37231 2/20 0.32
PTGES O14684 2/20 0.32
PSEN1 P49768 3/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
THRB P10828 1/20 0.32
PPARD Q03181 3/20 0.31
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PPARA Q07869 1/20 0.31
MAOB P27338 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL15461309 0.95 S1PR1 (0.36) S1PR1ALOX5PPARGPTGESPSEN1
SCHEMBL15461318 0.94 S1PR1 (0.34) S1PR1ALOX5PPARGPTGESGABRA1
SCHEMBL15460650 0.88
SCHEMBL15460642 0.87 MAOB (0.32) THRBMAOBRARBRARARARG
SCHEMBL15461297 0.87 MAOB (0.32) THRBMAOBRARBRARARARG
SCHEMBL18314816 0.86 S1PR1 (0.33) S1PR1ALOX5PPARGPTGESPSEN1
SCHEMBL18314993 0.86 S1PR1 (0.33) S1PR1ALOX5PPARGPTGESPSEN1
SCHEMBL15461316 0.86 ALOX5AP (0.36) S1PR1PPARDFFAR1FFAR4
SCHEMBL15460780 0.85 S1PR1 (0.34) S1PR1ALOX5GABRA1GABRB2THRB
SCHEMBL15461308 0.85 THRB (0.36) PPARGTHRBPPARDPPARAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-9273245-B2 Compound having 2,2-difluorovinyloxy group or 1,2,2-trifluorovinyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-03-01 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed
US-20140034876-A1 COMPOUND HAVING 2,2-DIFLUOROVINYLOXY GROUP OR 1,2,2-TRIFLUOROVINYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-06 US disclosed