SCHEMBL8947364

SCHEMBL8947364

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LYPLA1 O75608 1/20 0.31
LYPLA2 O95372 1/20 0.31
ABHD16A O95870 1/20 0.31
GRM2 Q14416 1/20 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
SCHEMBL8947230 0.99 FPR2 (0.37) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL8947321 0.92 FPR2 (0.35) FPR2EPHX1ALDH1A1
SCHEMBL8947042 0.92 FPR2 (0.39) FPR2SLC6A2SLC6A4SLC6A3
SCHEMBL8945491 0.92 SLC6A2 (0.36) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL18718438 0.91 SLC6A2 (0.37) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL18719233 0.91 MGLL (0.39) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL18719248 0.91 MGLL (0.39) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL18718442 0.91 SLC6A2 (0.37) FPR2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL8947351 0.91 FPR2 (0.35) FPR2EPHX1ALDH1A1
SCHEMBL8947339 0.91 FPR2 (0.35) FPR2EPHX1ALDH1A1

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