SCHEMBL320544

SCHEMBL320544

O=C(O)CCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 20/20 1.00
MAOA P21397 11/20 1.00
MAOB P27338 11/20 1.00

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
SCHEMBL7752699 1.00 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL320035 1.00 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL320049 1.00 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL8983987 0.91 ALDH2 (0.84) ALDH2MAOAMAOB
SCHEMBL8983889 0.91 ALDH2 (0.84) ALDH2MAOAMAOB
SCHEMBL4686444 0.89 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4684115 0.89 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4679869 0.89 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4683189 0.87 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL5492489 0.87 ALDH2 (1.00) ALDH2MAOAMAOB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886028-A REDUCING ALCOHOL CONSUMPTION BY ADMINISTERING AN ENZYME INHIBITOR THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-03-23 US claimed
EP-0592583-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1994-04-20 EP claimed
WO-1993000896-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1993-01-21 WO claimed
EP-3170499-A1 TREATMENT FOR COCAINE ADDICTION Tonix Pharmaceuticals, Inc. (US) 2017-05-24 EP disclosed
EP-2611440-B1 TREATMENT FOR COCAINE ADDICTION TONIX PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
US-8481599-B2 Compositions and methods for increasing compliance with therapies using aldehyde dehydrogenase inhibitors and treating alcoholism TONIX PHARMACEUTICALS INC. (US) 2013-07-09 US disclosed
US-20130165511-A1 TREATMENT FOR COCAINE ADDICTION TONIX Pharmaceuticals Holding Corp (US) 2013-06-27 US disclosed
US-20120101154-A1 COMPOSITIONS AND METHODS FOR INCREASING COMPLIANCE WITH THERAPIES USING ALDEHYDE DEHYDROGENASE INHIBITORS AND TREATING ALCOHOLISM Tonix Pharmaceuticals, Inc. (US) 2012-04-26 US disclosed
US-8093300-B2 Compositions and methods for increasing compliance with therapies using aldehyde dehydrogenase inhibitors and treating alcoholism KRELE PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
EP-1441708-B1 COMPOSITIONS AND METHODS FOR INCREASING COMPLIANCE WITH THERAPIES USING ALDEHYDE DEHYDROGENASE INHIBITORS AND TREATING ALCOHOLISM KRELE PHARMACEUTICALS LLC (US) 2009-04-08 EP disclosed
US-20090005441-A1 COMPOSITIONS AND METHODS FOR INCREASING COMPLIANCE WITH THERAPIES USING ALDEHYDE DEHYDROGENASE INHIBITORS AND TREATING ALCOHOLISM KRELE PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2003039525-A1 COMPOSITIONS AND METHODS FOR INCREASING COMPLIANCE WITH THERAPIES USING ALDEHYDE DEHYDROGENASE INHIBITORS AND TREATING ALCOHOLISM KRELE PHARMACEUTICALS LLC (US) 2003-05-15 WO disclosed
US-20030087814-A1 Compositions and methods for increasing compliance with therapies using aldehyde dehydrogenase inhibitors and treating alcoholism KRELE PHARMACEUTICALS, INC. 2003-05-08 US disclosed
US-6255497-B1 DAIDZIN DERIVATIVES AS ENZYME INHIBITORS OF ALDEHYDE DEHYDROGENASE; USEFUL IN TREATING ALCOHOLISM THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. 2001-07-03 US disclosed
EP-0592583-B1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ENDOWMENT FOR RES IN HUMAN BIO (US) 2001-01-31 EP disclosed
US-6121010-A SCREENING FOR COMPOUNDS WHICH REDUCE ALCOHOL (ETHANOL) CONSUMPTION BY DETERMINING EFFECTIVENESS FOR INHIBITING ALDEHYDE DEHYDROGENASE ACTIVITY ON ALDEHYDES DERIVED FROM SUBSTRATES OF MONOAMINE OXIDASE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY (US) 2000-09-19 US disclosed
US-5886028-A REDUCING ALCOHOL CONSUMPTION BY ADMINISTERING AN ENZYME INHIBITOR THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-03-23 US disclosed
US-5624910-A INHIBITING ALDEHYDE DEHYRDOGENASE ACTIVITY USING DAIDZIN THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1997-04-29 US disclosed
EP-0592583-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1994-04-20 EP disclosed
WO-1993000896-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1993-01-21 WO disclosed