SCHEMBL8961542

SCHEMBL8961542

C=CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
FFAR4 Q5NUL3 3/20 0.34
DGAT1 O75907 1/20 0.32
FPR2 P25090 1/20 0.31
OPRL1 P41146 3/20 0.31

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
SCHEMBL8934690 0.97 GABRA1 (0.37) GABRA1GABRB2FFAR4DGAT1FPR2
SCHEMBL8961551 0.96 FFAR4 (0.34) GABRA1GABRB2FFAR4DGAT1OPRL1
SCHEMBL8961553 0.95 FFAR4 (0.33) GABRA1GABRB2FFAR4DGAT1FPR2
SCHEMBL8961570 0.94 FFAR4 (0.33) GABRA1GABRB2FFAR4DGAT1
SCHEMBL8961561 0.94 FFAR4 (0.33) GABRA1GABRB2FFAR4DGAT1
SCHEMBL8961580 0.94 FFAR4 (0.33) GABRA1GABRB2FFAR4DGAT1
SCHEMBL8961572 0.94 FFAR4 (0.33) GABRA1GABRB2FFAR4DGAT1
SCHEMBL8961531 0.94 FFAR4 (0.35) FFAR4DGAT1OPRL1
SCHEMBL8934692 0.93 FFAR4 (0.35) GABRA1GABRB2FFAR4DGAT1OPRL1
SCHEMBL8934695 0.92 FFAR4 (0.35) GABRA1GABRB2FFAR4DGAT1FPR2

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