SCHEMBL7916332

SCHEMBL7916332

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C3CCC(CCc4ccc(CF)cc4)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
MAOA P21397 1/20 0.42
TLR4 O00206 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP2C9 P11712 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL7916329 1.00 MAOB (0.42) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7916336 1.00 MAOB (0.42) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7916343 1.00 MAOB (0.42) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7911065 0.95 MAOB (0.40) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7911076 0.95 MAOB (0.40) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7911073 0.95 MAOB (0.40) MAOBMAOATLR4HRH3CYP2C9
SCHEMBL7909832 0.90 MAOB (0.40) MAOBMAOAHRH3GPR84LMNA
SCHEMBL7909838 0.90 MAOB (0.40) MAOBMAOAHRH3GPR84LMNA
SCHEMBL7909854 0.90 MAOB (0.40) MAOBMAOAHRH3GPR84LMNA
SCHEMBL7909844 0.90 MAOB (0.40) MAOBMAOAHRH3GPR84LMNA

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