SCHEMBL7902570

SCHEMBL7902570

CCCCc1ccc(CCC2CCC([C@H]3CC[C@H]([C@H]4CC[C@H](CCCCF)CC4)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTR2A P28223 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
SPHK1 Q9NYA1 6/20 0.35
NMT1 P30419 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPHK2 Q9NRA0 3/20 0.34
LMNA P02545 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
SCHEMBL7902567 1.00 MAOA (0.39) MAOAMAOBHRH3HTR2ACA2
SCHEMBL7902574 1.00 MAOA (0.39) MAOAMAOBHRH3HTR2ACA2
SCHEMBL7902578 1.00 MAOA (0.39) MAOAMAOBHRH3HTR2ACA2
SCHEMBL7911059 0.96 RARB (0.39) MAOAMAOBHRH3HTR2ASPHK1
SCHEMBL7911047 0.96 RARB (0.39) MAOAMAOBHRH3HTR2ASPHK1
SCHEMBL7911054 0.96 RARB (0.39) MAOAMAOBHRH3HTR2ASPHK1
SCHEMBL7912718 0.94 HTR2A (0.40) MAOAMAOBHRH3HTR2ASPHK1
SCHEMBL7912730 0.94 HTR2A (0.40) MAOAMAOBHRH3HTR2ASPHK1
SCHEMBL7912714 0.94 HTR2A (0.40) MAOAMAOBHRH3HTR2ASPHK1
SCHEMBL7912724 0.94 HTR2A (0.40) MAOAMAOBHRH3HTR2ASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed