SCHEMBL8971890

SCHEMBL8971890

CCCCCC1CCC(C(F)(F)Oc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
HMOX1 P09601 1/20 0.31
APP P05067 1/20 0.30
CYP2C9 P11712 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL8971939 0.93 SLC6A2 (0.34) GRM2APPCYP2C9
SCHEMBL15340235 0.86
SCHEMBL8972405 0.85 FPR2 (0.30)
SCHEMBL8972128 0.84 PPARD (0.34) GRM2S1PR1S1PR3
SCHEMBL8971724 0.82 GRM2 (0.33) GRM2
SCHEMBL8943442 0.81 FPR2 (0.35)
SCHEMBL8970464 0.80 FFAR4 (0.33) HMOX1S1PR1S1PR3
SCHEMBL8971848 0.80 GRM2 (0.35) GRM2S1PR1S1PR3
SCHEMBL8971604 0.80 GRM2 (0.38) GRM2APPCYP2C9
SCHEMBL8944006 0.80 FPR2 (0.35) S1PR1

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