SCHEMBL8963087

SCHEMBL8963087

CCOc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
KCNH2 Q12809 2/20 0.35
MAOB P27338 1/20 0.35
NQO1 P15559 1/20 0.35
XDH P47989 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL8963096 1.00 GRM2 (0.39) GRM2RAB9ANPC1CASP3SENP8
SCHEMBL9543545 0.95 MAOB (0.42) KCNH2MAOB
SCHEMBL8962937 0.90 LMNA (0.39) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL8962942 0.90 LMNA (0.39) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL8963071 0.87 MAOB (0.47) KCNH2MAOB
SCHEMBL8963063 0.87 MAOB (0.47) KCNH2MAOB
SCHEMBL8963130 0.85 MAOB (0.44) GPR84MAOB
SCHEMBL8963138 0.85 MAOB (0.44) GPR84MAOB
SCHEMBL8962736 0.85 GPR84 (0.36) RAB9ANPC1GPR84MAOBKDM4E
SCHEMBL8962731 0.85 GPR84 (0.36) RAB9ANPC1GPR84MAOBKDM4E

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
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