SCHEMBL7909667

SCHEMBL7909667

CCCC[C@H]1CC[C@H](C2CCC(CCc3ccc(-c4ccc(CF)cc4)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CYP1A2 P05177 1/20 0.36
RARB P10826 6/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RARA P10276 1/20 0.33
MAPT P10636 1/20 0.33
MTOR P42345 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL7909680 1.00 GPR84 (0.39) GPR84MAOBMAOAHRH3CYP1A2
SCHEMBL7909674 1.00 GPR84 (0.39) GPR84MAOBMAOAHRH3CYP1A2
SCHEMBL7909854 0.96 MAOB (0.40) GPR84MAOBMAOAHRH3CYP1A2
SCHEMBL7909844 0.96 MAOB (0.40) GPR84MAOBMAOAHRH3CYP1A2
SCHEMBL7909838 0.96 MAOB (0.40) GPR84MAOBMAOAHRH3CYP1A2
SCHEMBL7909832 0.96 MAOB (0.40) GPR84MAOBMAOAHRH3CYP1A2
SCHEMBL7911076 0.91 MAOB (0.40) GPR84MAOBMAOAHRH3
SCHEMBL7902577 0.91 MAOA (0.40) MAOBMAOAHRH3KMT2AMEN1
SCHEMBL7911065 0.91 MAOB (0.40) GPR84MAOBMAOAHRH3
SCHEMBL7902572 0.91 MAOA (0.40) MAOBMAOAHRH3KMT2AMEN1

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