SCHEMBL8588340

SCHEMBL8588340

CCCCCC(C)(C)c1cc(CN2C(=O)C3=C(CCCC3)C2=O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.35
CNR2 P34972 13/20 0.35
GPR55 Q9Y2T6 4/20 0.35
GPR18 Q14330 3/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL8588338 0.87 ALDH1A1 (0.40) NPC1RAB9APOLBKDM4ELMNA
SCHEMBL258641 0.84 CNR1 (0.41) CNR1CNR2GPR55GPR18NPC1
SCHEMBL8068162 0.83 KDM4E (0.35) CNR1CNR2NPC1RAB9APOLB
SCHEMBL9437936 0.80 CNR2 (0.37) CNR1CNR2GPR55GPR18
SCHEMBL9408867 0.80 CNR2 (0.42) CNR1CNR2GPR55GPR18NPC1
SCHEMBL272931 0.80 NPC1 (0.49) NPC1RAB9APOLBKDM4ELMNA
SCHEMBL29353331 0.80 NPC1 (0.49) NPC1RAB9APOLBKDM4ELMNA
SCHEMBL23222483 0.80 LMNA (0.39) NPC1RAB9APOLBKDM4ELMNA
SCHEMBL3072179 0.79 CNR1 (0.39) CNR1CNR2GPR55GPR18NPC1
Bisoctrizole SCHEMBL5994398 0.79 CNR2 (0.39) CNR1CNR2GPR55GPR18NPC1

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
JP-10251503-A None JP disclosed
JP-10251502-A None JP disclosed
JP-H10251503-A POLYCARBONATE RESIN COMPOSITION SUMITOMO DOW LTD 1998-09-22 JP disclosed
JP-H10251502-A POLYCARBONATE RESIN COMPOSITION SUMITOMO DOW LTD 1998-09-22 JP disclosed