SCHEMBL9778586

SCHEMBL9778586

Cc1ccc(COc2cccc(C3OCCCO3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.54
MAOA P21397 5/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPD P32754 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
ACHE P22303 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL9778775 0.83 HRH3 (0.50) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL8303700 0.78 ALDH1A1 (0.40) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL9778756 0.77 OPRM1 (0.49) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL9778889 0.76 MAOB (0.51) MAOBMAOAACHE
SCHEMBL9778499 0.76 MAOB (0.54) MAOBMAOANPC1RAB9AHPD
SCHEMBL9778641 0.76 MAOB (0.48) MAOBMAOAALDH1A1HTTSMN1; SMN2
SCHEMBL9778693 0.76 MAOB (0.56) MAOBMAOANPC1RAB9AHPD
SCHEMBL20546781 0.75 SLC5A2 (0.50) RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL20977574 0.74 ALDH1A1 (0.41) MAOBMAOAALDH1A1HTTSMN1; SMN2
SCHEMBL9778547 0.73 MAOB (0.49) MAOBMAOANPC1RAB9ASMN1; SMN2

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