SCHEMBL8971848

SCHEMBL8971848

CCCCCC1COC(C(F)(F)Oc2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
PPARD Q03181 2/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTR2C P28335 2/20 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
SCHEMBL8971952 0.88 PLA2G2D (0.32) S1PR1
SCHEMBL8971936 0.88 S1PR1 (0.33) PPARDS1PR1S1PR3
SCHEMBL8971724 0.84 GRM2 (0.33) GRM2
SCHEMBL8970738 0.84 S1PR1 (0.34) PPARDS1PR1S1PR3FFAR1FFAR4
SCHEMBL8972128 0.84 PPARD (0.34) GRM2PPARDS1PR1S1PR3FFAR1
SCHEMBL8948466 0.82 FPR2 (0.33) PPARDS1PR1S1PR3
SCHEMBL8948506 0.81 FPR2 (0.33) PPARD
SCHEMBL8972099 0.81 PPARD (0.37) PPARD
SCHEMBL8971017 0.81 PPARD (0.35) PPARDS1PR1S1PR3FFAR1FFAR4
SCHEMBL14226815 0.81 GRM2 (0.32) GRM2

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed