SCHEMBL8947230

SCHEMBL8947230

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.37
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
SLC6A3 Q01959 6/20 0.35
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL8947364 0.99 FPR2 (0.36) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL8947042 0.93 FPR2 (0.39) FPR2SLC6A2SLC6A4SLC6A3
SCHEMBL8947173 0.92 FPR2 (0.35) FPR2EPHX1
SCHEMBL8945323 0.91 SLC6A2 (0.36) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL18718432 0.91 SLC6A2 (0.37) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL18719229 0.91 FPR2 (0.38) FPR2SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL8947315 0.91 FPR2 (0.36) FPR2EPHX1
SCHEMBL8947321 0.91 FPR2 (0.35) FPR2EPHX1
SCHEMBL8947302 0.91 FPR2 (0.34) FPR2EPHX1
SCHEMBL8945491 0.91 SLC6A2 (0.36) FPR2SLC6A2SLC6A4SLC6A3CYP3A4

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