SCHEMBL5167602

SCHEMBL5167602

CCCc1ccc(CCc2ccc(-c3c(-c4c(F)cccc4F)ccc(F)c3F)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PDK2 Q15119 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
RARB P10826 1/20 0.32
KAT6A Q92794 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5171630 0.82 CNR1 (0.34) CNR1CNR2PDK2NPC1RAB9A
SCHEMBL20111243 0.78 CNR1 (0.40) CNR1CNR2PDK2NPC1RAB9A
SCHEMBL9664422 0.74 RARB (0.51) CNR1CNR2PDK2NPC1RAB9A
SCHEMBL9662918 0.74 RARB (0.51) CNR1CNR2PDK2NPC1RAB9A
SCHEMBL7183626 0.73 RARB (0.42) CNR1CNR2PDK2NPC1RAB9A
SCHEMBL8110566 0.72 PDK2 (0.37) CNR1CNR2PDK2RARB
SCHEMBL9399967 0.72 RARB (0.52) CNR1CNR2PDK2NPC1RAB9A
SCHEMBL17487805 0.72 RARB (0.41) CNR1CNR2PDK2NPC1RAB9A
SCHEMBL9227215 0.71 GRIA4 (0.39) PDK2NPC1RAB9AGAATP53
SCHEMBL30990912 0.71 KAT6A (0.37) CNR1CNR2PDK2NPC1RAB9A

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-0949231-B1 FLUORINE-SUBSTITUTED BENZENE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2007-05-02 EP disclosed
US-6210603-B1 HIGH VOLTAGE HOLDING RATIO, ALTERED ONLY SLIGHTLY BY CHANGE OF TEMPERATURE, AND LOW THRESHOLD VOLTAGE CHISSO CORPORATION (JP) 2001-04-03 US disclosed
EP-0949231-A1 FLUORINE-SUBSTITUTED BENZENE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-10-13 EP disclosed