SCHEMBL9778974

SCHEMBL9778974

N#Cc1ccc(COc2ccc(C3OCCCO3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.53
HRH3 Q9Y5N1 1/20 0.49
KCNH2 Q12809 1/20 0.48
MAOA P21397 4/20 0.46
RAB9A P51151 1/20 0.46
PRKDC P78527 2/20 0.43
GPR84 Q9NQS5 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41

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
SCHEMBL9778872 0.94 MAOB (0.55) MAOBHRH3KCNH2MAOARAB9A
SCHEMBL9778875 0.84 GRM5 (0.55) MAOBKCNH2MAOAGPR84CYP4F2
SCHEMBL9778547 0.84 MAOB (0.49) MAOBHRH3MAOARAB9A
SCHEMBL1779534 0.83 CYP11B1 (0.41) MAOBKCNH2MAOA
SCHEMBL9778520 0.83 MAOB (0.51) MAOBHRH3MAOARAB9A
SCHEMBL9778813 0.83 APP (0.51) MAOBHRH3RAB9A
SCHEMBL9778775 0.83 HRH3 (0.50) MAOBHRH3MAOARAB9AACHE
SCHEMBL9778725 0.83 RXRA (0.47) HRH3RAB9A
SCHEMBL9778581 0.82 LMNA (0.50) MAOBHRH3MAOARAB9A
SCHEMBL9778601 0.81 HRH3 (0.47) MAOBHRH3MAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed