SCHEMBL8957167

SCHEMBL8957167

CCCCCCc1ccc(-c2ccc(-c3ccc(C4COC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RARB P10826 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 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
SCHEMBL8957062 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957277 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957261 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957305 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957273 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957173 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957043 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957253 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957105 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53
SCHEMBL8957308 1.00 ENPP2 (0.33) ENPP2ALDH1A1RARBMEN1TP53

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