SCHEMBL8934646

SCHEMBL8934646

C/C=C/CCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.34
DGAT1 O75907 1/20 0.32
S1PR1 P21453 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
FPR2 P25090 1/20 0.31
OPRL1 P41146 3/20 0.31
PTPN11 Q06124 1/20 0.31
SCN9A Q15858 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
SCHEMBL8961501 0.97 FFAR4 (0.33) FFAR4DGAT1
SCHEMBL8934610 0.97 FFAR4 (0.35) FFAR4DGAT1S1PR1PTGESALOX5
SCHEMBL8961453 0.97 FFAR4 (0.33) FFAR4DGAT1PTPN11
SCHEMBL8961479 0.97 FFAR4 (0.33) FFAR4DGAT1PTPN11
SCHEMBL8961470 0.97 FFAR4 (0.33) FFAR4DGAT1PTPN11
SCHEMBL8961549 0.97 FFAR4 (0.33) FFAR4DGAT1PTPN11
SCHEMBL8961539 0.95 FFAR4 (0.33) FFAR4DGAT1S1PR1PTGESALOX5
SCHEMBL8934547 0.95 FFAR4 (0.35) FFAR4DGAT1FPR2OPRL1
SCHEMBL8961506 0.92 FFAR4 (0.34) FFAR4DGAT1FPR2OPRL1
SCHEMBL8934545 0.92 FFAR4 (0.36) FFAR4DGAT1FPR2OPRL1

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