SCHEMBL8448672

SCHEMBL8448672

CCCc1ccc(/C=C\c2ccc(CCC)cc2F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NFE2L2 Q16236 5/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
THRB P10828 1/20 0.34
ALOX5 P09917 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL8452030 1.00 CNR1 (0.42) CNR1CNR2NFE2L2CYP1A1CYP1A2
SCHEMBL9276716 0.90 MIF (0.49) CNR1CNR2NFE2L2PTGS1PTGS2
SCHEMBL7238597 0.85 TLR8 (0.38) CNR1CNR2NPC1TP53PKM
SCHEMBL7238598 0.85 TLR8 (0.38) CNR1CNR2NPC1TP53PKM
SCHEMBL23298960 0.85 CNR1 (0.40) CNR1CNR2NPC1TP53PKM
SCHEMBL7735973 0.85 CNR1 (0.40) CNR1CNR2NPC1TP53PKM
SCHEMBL7237152 0.82 PDE5A (0.40) CNR1CNR2
SCHEMBL7237157 0.82 PDE5A (0.40) CNR1CNR2
SCHEMBL12976427 0.81 HTR2A (0.36) THRBPDK2
SCHEMBL12739593 0.79 NFE2L2 (0.40) CNR1CNR2NFE2L2CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914071-A Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1999-06-22 US disclosed
US-5663463-A Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1997-09-02 US disclosed
EP-0560382-B1 Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS CO LTD (JP) 1996-07-03 EP disclosed
US-5516949-A LOW VISCOSITY AND PHOTOSTABLE ASAHI GLASS COMPANY LTD. (JP) 1996-05-14 US disclosed
US-5419851-A Difluoro-derivative compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1995-05-30 US disclosed
EP-0628528-A1 DIFLUORIDE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME ASAHI GLASS COMPANY LTD. (JP) 1994-12-14 EP disclosed
EP-0560382-A1 Difluoroethylene compounds and liquid crystal compositions containing them ASAHI GLASS COMPANY LTD. (JP) 1993-09-15 EP disclosed