SCHEMBL8897520

SCHEMBL8897520

O=[C]COc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LTA4H P09960 5/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.42
SOD1 P00441 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.40
DAO P14920 1/20 0.40
GRM5 P41594 1/20 0.40
MMP1 P03956 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL98311 0.94 ALDH1A1 (0.47) MAOBALDH1A1MEN1RAB9AKMT2A
SCHEMBL2170360 0.82 CA12 (0.42) MAOAMAOBPTGS2ALDH1A1MEN1
SCHEMBL11307105 0.80 MAOB (0.47) MAOAMAOBLTA4HPTGS2ALDH1A1
SCHEMBL11510990 0.77 MAOA (0.52) MAOAMAOBLTA4HPTGS2ALDH1A1
SCHEMBL457634 0.75 MAOA (0.74) MAOAMAOBLTA4HPTGS2ALDH1A1
SCHEMBL9242729 0.75 MAOA (0.74) MAOAMAOBLTA4HPTGS2ALDH1A1
SCHEMBL25245394 0.74 MAOB (0.54) MAOAMAOBLTA4HPTGS2RAB9A
SCHEMBL5536815 0.73 ALDH3A1 (0.47) MAOBLTA4HPTGS2MEN1RAB9A
Formaldehyde SCHEMBL28347928 0.73 MAOA (0.64) MAOAMAOBLTA4HALDH1A1MEN1
SCHEMBL514661 0.72 APP (0.42) MAOBALDH1A1RAB9AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352666-A Using a renin inhibitor SCHERING CORPORATION (US) 1994-10-04 US claimed
US-3985875-A RENIN INHIBITION, ANTIHYPERTENSIVE, ANTICHOLESTEROL AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 US claimed
US-5688770-A RENIN INHIBITOR AND BETA ADRENERGIC BLOCKING AGENT SCHERING CORPORATION (US) 1997-11-18 US disclosed
US-5352666-A Using a renin inhibitor SCHERING CORPORATION (US) 1994-10-04 US disclosed
WO-1992013564-A1 COMBINATION OF AN ANGIOTENSIN II ANTAGONIST OR RENIN INHIBITOR WITH A NEUTRAL ENDOPEPTIDASE INHIBITOR SCHERING CORPORATION (US) 1992-08-20 WO disclosed
EP-0498361-A2 Combination of an angiotensin II antagonist or renin inhibitor with a neutral endopeptidase inhibitor SCHERING CORPORATION (US) 1992-08-12 EP disclosed
EP-0246381-B1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1990-08-01 EP disclosed
US-4906613-A Antiglaucoma compositions and methods SCHERING CORPORATION (US) 1990-03-06 US disclosed
EP-0246381-A1 Renin inhibitors and methods for using same SCHERING CORPORATION (US) 1987-11-25 EP disclosed
US-3985875-A RENIN INHIBITION, ANTIHYPERTENSIVE, ANTICHOLESTEROL AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 US disclosed