SCHEMBL8947055

SCHEMBL8947055

CCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.31
CYP1A2 P05177 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
ALOX5 P09917 1/20 0.30
GRM2 Q14416 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
SCHEMBL8947344 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947289 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947151 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947305 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947342 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947332 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947106 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947237 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947359 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2
SCHEMBL8947207 1.00 EPHX1 (0.35) EPHX1ALDH1A1PPARGCYP1A2SLC6A2

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