SCHEMBL8944006

SCHEMBL8944006

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.35
KDM1A O60341 2/20 0.34
ALOX5 P09917 1/20 0.32
EPHX1 P07099 1/20 0.32
RARB P10826 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.30
S1PR1 P21453 4/20 0.30
SGPL1 O95470 3/20 0.30
FASN P49327 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
SCHEMBL8943442 0.99 FPR2 (0.35) FPR2KDM1AALOX5RARBSLC6A2
SCHEMBL8944098 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8943530 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8943537 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8944113 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8943949 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8944391 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8944200 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8943876 0.95 FPR2 (0.35) FPR2ALOX5EPHX1RARBSLC6A2
SCHEMBL8944272 0.95 FPR2 (0.33) FPR2ALOX5EPHX1RARBSLC6A2

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