SCHEMBL8962937

SCHEMBL8962937

CCCOc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 2/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ACACB O00763 3/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ACACA Q13085 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8962942 1.00 LMNA (0.39) LMNAL3MBTL1KCNH2ITGB3ITGA2B
SCHEMBL8963087 0.90 GRM2 (0.39) L3MBTL1KCNH2MEN1RAB9AKMT2A
SCHEMBL8963096 0.90 GRM2 (0.39) L3MBTL1KCNH2MEN1RAB9AKMT2A
SCHEMBL8963138 0.86 MAOB (0.44) HRH3
SCHEMBL8963130 0.86 MAOB (0.44) HRH3
SCHEMBL9543545 0.86 MAOB (0.42) KCNH2
SCHEMBL8963063 0.85 MAOB (0.47) KCNH2
SCHEMBL8963071 0.85 MAOB (0.47) KCNH2
SCHEMBL8962736 0.83 GPR84 (0.36) ALDH1A1RAB9AHRH3
SCHEMBL8962731 0.83 GPR84 (0.36) ALDH1A1RAB9AHRH3

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
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed