SCHEMBL8947187

SCHEMBL8947187

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ccc5cc(CCCCC)c(F)c(F)c5c4F)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CNR2 P34972 2/20 0.34
LTA4H P09960 1/20 0.32
CNR1 P21554 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
CYP2D6 P10635 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL8947153 0.90 CTSL (0.35) CTSLCTSSCTSKCNR2LTA4H
SCHEMBL8947357 0.86 RARB (0.35) CTSLCTSSCTSKCNR2LTA4H
SCHEMBL8947372 0.86 CTSL (0.33) CTSLCTSSCTSKCNR2LTA4H
SCHEMBL8942430 0.82 CNR2 (0.39) CNR2LTA4HCNR1THRBALDH1A1
SCHEMBL8947367 0.80 LTA4H (0.38) CNR2LTA4HCNR1THRBALDH1A1
SCHEMBL13000762 0.80 GAA (0.32) CTSLCTSSCTSKALDH1A1LMNA
SCHEMBL8947021 0.79 RARB (0.35) CTSLCTSSCTSKCNR2LTA4H
SCHEMBL8946222 0.77 RARB (0.40) CNR2LTA4HCNR1THRBALDH1A1
SCHEMBL17771240 0.76 CNR2 (0.37) CNR2LTA4HCNR1ALDH1A1MEN1
SCHEMBL8945456 0.76 RARB (0.36) CNR2LTA4HALDH1A1MEN1KMT2A

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