SCHEMBL8947372

SCHEMBL8947372

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ccc5cc(CCCCC)c(F)cc5c4F)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CNR2 P34972 2/20 0.33
LTA4H P09960 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RARB P10826 1/20 0.31
CNR1 P21554 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
GCGR P47871 1/20 0.31
LMNA P02545 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
SCHEMBL8947187 0.86 CTSL (0.36) CTSLCTSSCTSKCNR2LTA4H
SCHEMBL8947367 0.85 LTA4H (0.38) CNR2LTA4HALDH1A1MAPTRARB
SCHEMBL8947021 0.83 RARB (0.35) CTSLCTSSCTSKCNR2LTA4H
SCHEMBL8947357 0.82 RARB (0.35) CTSLCTSSCTSKCNR2LTA4H
SCHEMBL8942430 0.81 CNR2 (0.39) CNR2LTA4HALDH1A1MAPTRARB
SCHEMBL13000774 0.80 HTR2C (0.33) CTSLCTSSCTSKHTR2CHTR2B
SCHEMBL8946222 0.78 RARB (0.40) CNR2LTA4HALDH1A1MAPTRARB
SCHEMBL13263033 0.76 HPGD (0.36) HTR2CHTR2BKDM4EALDH1A1MAPT
SCHEMBL16856094 0.75 CNR2 (0.46) CNR2HTR2CHTR2BRARBCNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed