SCHEMBL7909832

SCHEMBL7909832

CCCC[C@H]1CC[C@H](C2CCC(C3CCC(CCc4ccc(CF)cc4)CC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP1A2 P05177 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SPHK1 Q9NYA1 3/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SPHK2 Q9NRA0 2/20 0.33

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
SCHEMBL7909838 1.00 MAOB (0.40) MAOBMAOAHRH3CYP1A2GPR84
SCHEMBL7909844 1.00 MAOB (0.40) MAOBMAOAHRH3CYP1A2GPR84
SCHEMBL7909854 1.00 MAOB (0.40) MAOBMAOAHRH3CYP1A2GPR84
SCHEMBL7909680 0.96 GPR84 (0.39) MAOBMAOAHRH3CYP1A2GPR84
SCHEMBL7909667 0.96 GPR84 (0.39) MAOBMAOAHRH3CYP1A2GPR84
SCHEMBL7909674 0.96 GPR84 (0.39) MAOBMAOAHRH3CYP1A2GPR84
SCHEMBL7902572 0.95 MAOA (0.40) MAOBMAOAHRH3KMT2ASPHK1
SCHEMBL7902564 0.95 MAOA (0.40) MAOBMAOAHRH3KMT2ASPHK1
SCHEMBL7902577 0.95 MAOA (0.40) MAOBMAOAHRH3KMT2ASPHK1
SCHEMBL7902569 0.95 MAOA (0.40) MAOBMAOAHRH3KMT2ASPHK1

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