SCHEMBL8970734

SCHEMBL8970734

CCCCCC1CCC(COc2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.32
EPHX1 P07099 1/20 0.32
KCNH2 Q12809 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL12759761 0.95 CHRM2 (0.33) FPR2PTGS1PTGS2ALDH1A1
SCHEMBL12759817 0.93 CHRM2 (0.34) EPHX1PTGS1PTGS2
SCHEMBL12759774 0.92 CHRM2 (0.33) FPR2PTGS1PTGS2ALDH1A1
SCHEMBL12759791 0.90 CHRM2 (0.34) PTGS1PTGS2ALDH1A1
SCHEMBL12759739 0.89 SSTR5 (0.33) FPR2EPHX1KCNH2PTGS1PTGS2
SCHEMBL12759770 0.89 FPR2 (0.33) FPR2ALDH1A1
SCHEMBL12759786 0.89 CHRM2 (0.35) PTGS1PTGS2ALDH1A1
SCHEMBL12759873 0.88 CHRM2 (0.33) FPR2ALDH1A1
SCHEMBL8970518 0.88 NAAA (0.34) FPR2KCNH2
SCHEMBL8969709 0.88 SLC6A2 (0.34) FPR2

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