SCHEMBL8029291

SCHEMBL8029291

CCCc1ccc(-c2ccccc2-c2ccc(CCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
CA2 P00918 1/20 0.42
HSD11B1 P28845 3/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PDK2 Q15119 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL29993202 0.96 HSD11B1 (0.47) MAOBLPLLIPGCNR1CNR2
SCHEMBL8040096 0.92 CNR2 (0.46) MAOBLPLLIPGCNR2HSD11B1
SCHEMBL29732195 0.90 ABL1 (0.52) CNR1CNR2CA2ALOX5MAPT
SCHEMBL15238788 0.87 PPARA (0.50) MAOBLPLLIPGHSD11B1ALOX5
SCHEMBL28829436 0.86 HSD11B1 (0.56) NISCHCA2HSD11B1
SCHEMBL30684865 0.86 HSD11B1 (0.56) NISCHCA2HSD11B1
SCHEMBL10825673 0.86 GRIA4 (0.54) MAOBNPC1MAPTRAB9A
SCHEMBL28256624 0.86 MAOB (0.68) MAOBCNR2HSD11B1
SCHEMBL4453316 0.86 CNR1 (0.55) MAOBLPLLIPGCNR1CNR2
SCHEMBL9418555 0.84 SMN1; SMN2 (0.42) MAOBLPLLIPGNISCHNPC1

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-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed