SCHEMBL8199273

SCHEMBL8199273

O=CCOc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.55
MAOA P21397 2/20 0.51
SOD1 P00441 1/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5485782 0.85 KDM4E (0.43) MAOBMAOASOD1ALDH1A1KDM4E
SCHEMBL2794233 0.81 MAOB (0.51) MAOBMAOASOD1ALDH1A1KDM4E
Formaldehyde SCHEMBL27685853 0.81 MAOB (0.51) MAOBMAOASOD1ALDH1A1KDM4E
SCHEMBL472525 0.81 MAOB (0.55) MAOBMAOASOD1ALDH1A1KDM4E
SCHEMBL31573499 0.81 MAOB (0.55) MAOBMAOASOD1ALDH1A1KDM4E
Propionaldehyde SCHEMBL27848593 0.80 MAOB (0.50) MAOBMAOASOD1ALDH1A1KDM4E
SCHEMBL5251518 0.80 KDM4E (0.52) MAOBMAOAALDH1A1KDM4ERAB9A
SCHEMBL98467 0.79 KDM4E (0.54) MAOBALDH1A1KDM4ERAB9ALMNA
SCHEMBL14241526 0.78 MAOB (0.42) MAOBMAOAKDM4ERAB9A
SCHEMBL27555356 0.78 MAOB (0.51) MAOBMAOASOD1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023280288-A1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 天地恒一制药股份有限公司 2023-01-12 WO disclosed
EP-0968168-A1 AROMATIC TETRACYCLIC COMPOUNDS OF THE RETINOID TYPE, METHOD FOR PREPARING AND USE Centre Europeen de Bioprospective -CEB (FR) 2000-01-05 EP disclosed
WO-1998031654-A1 AROMATIC TETRACYCLIC COMPOUNDS OF THE RETINOID TYPE, METHOD FOR PREPARING AND USE CENTRE EUROPEEN DE BIOPROSPECTIVE -CEB- (FR) 1998-07-23 WO disclosed
US-4287209-A USEFUL AS METABOLIC REGULATORS, AND HERBICIDES SOCIETE DE RECHERCHES INDUSTRIELLES (S.O.R.I.) (FR) 1981-09-01 US disclosed
US-4146385-A METABOLIC REGULATORS, CARDIOVASCULAR AGENTS, HERBICIDES SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. (FR) 1979-03-27 US disclosed