SCHEMBL8945540

SCHEMBL8945540

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCC)nc4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
IL2 P60568 1/20 0.33
LTA4H P09960 1/20 0.33
GCGR P47871 2/20 0.32
NAAA Q02083 2/20 0.32
LMNA P02545 1/20 0.31
S1PR1 P21453 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CTSK P43235 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8945456 0.89 RARB (0.36) RARBRARARARGALOX5APFEN1
SCHEMBL8945787 0.85 RARB (0.39) RARBRARARARGLTA4HGCGR
SCHEMBL8945026 0.83 RAB9A (0.44) RARBRARARARGALOX5APFEN1
SCHEMBL8946222 0.82 RARB (0.40) RARBRARARARGLTA4HLMNA
SCHEMBL12999938 0.81 FEN1 (0.37) ALOX5APFEN1IL2LMNAHTR2C
SCHEMBL8943511 0.80 TSHR (0.33) IL2LMNAHTR2CHTR2AALDH1A1
SCHEMBL8942564 0.76 RAB9A (0.49) RARBLTA4HMEN1ALDH1A1KMT2A
SCHEMBL2855559 0.76 RARB (0.52) RARBRARARARGLMNAS1PR1
SCHEMBL16856094 0.76 CNR2 (0.46) RARBRARAS1PR1HTR2CHTR2B
SCHEMBL10462030 0.76 RARB (0.54) RARBRARARARGS1PR1HTR2A

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