SCHEMBL8963130

SCHEMBL8963130

CCCc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
MAOA P21397 1/20 0.44
GPR84 Q9NQS5 1/20 0.36
NISCH Q9Y2I1 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
MCL1 Q07820 1/20 0.32
FFAR2 O15552 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL8963138 1.00 MAOB (0.44) MAOBMAOAGPR84NISCHHRH3
SCHEMBL8962731 0.91 GPR84 (0.36) MAOBMAOAGPR84HRH3S1PR1
SCHEMBL8962736 0.91 GPR84 (0.36) MAOBMAOAGPR84HRH3S1PR1
SCHEMBL8963277 0.89 MAOB (0.44) MAOBMAOAGPR84HRH3S1PR1
SCHEMBL8963269 0.89 MAOB (0.44) MAOBMAOAGPR84HRH3S1PR1
SCHEMBL8963373 0.87 MAOB (0.45) MAOBMAOAGPR84
SCHEMBL8963369 0.87 MAOB (0.45) MAOBMAOAGPR84
SCHEMBL9450829 0.87 MAOB (0.40) MAOBMAOAGPR84HRH3S1PR1
SCHEMBL8962937 0.86 LMNA (0.39) HRH3
SCHEMBL8962942 0.86 LMNA (0.39) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed
EP-0559860-A1 HALOVINYL-DERIVATIVES. HOFFMANN LA ROCHE (CH) 1993-09-15 EP disclosed
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed