SCHEMBL4633534

SCHEMBL4633534

O=C(O)C1(C(=O)O)Oc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
ALPG P10696 2/20 0.40
TDP1 Q9NUW8 3/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TSHR P16473 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ALOX15 P16050 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
NPC1 O15118 1/20 0.37
AKR1C1 Q04828 1/20 0.37
P2RX4 Q99571 1/20 0.36
ALOX5 P09917 2/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8229101 0.75 ALDH1A1 (0.33) ALDH1A1NPC1
SCHEMBL8308888 0.72 ALOX15 (0.43) HTTALDH1A1ALOX15NPC1KDM4E
SCHEMBL6040793 0.71 ALDH1A1 (0.51) LMNATDP1THRBALDH1A1TSHR
SCHEMBL7172154 0.70 THRB (0.45) LMNAHTTALPGTDP1THRB
SCHEMBL11495165 0.69 ALOX15 (0.41) LMNAHTTALDH1A1ALOX15NPC1
SCHEMBL11009587 0.69 ALOX5 (0.38) LMNAHTTALDH1A1TSHRALOX15
SCHEMBL11814891 0.69 CYP3A4 (0.47) LMNAHTTTDP1ALDH1A1TSHR
SCHEMBL11815114 0.68 KDM4E (0.38) LMNAHTTALPGTDP1ALDH1A1
SCHEMBL11809284 0.68 LMNA (0.41) LMNAHTTALPGTDP1ALDH1A1
SCHEMBL9346852 0.68 THRB (0.38) LMNAHTTALPGTDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004103057-A2 COMPOSITIONS AND METHODS FOR INDUCING ADIPOSE TISSUE CELL DEATH THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2004-12-02 WO claimed
US-20040235922-A1 Compositions and methods for inducing adipose tissue cell death UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2004-11-25 US claimed
EP-0608568-B1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID CO (US) 1998-03-11 EP claimed
EP-0608568-A1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID COMPANY (US) 1994-08-03 EP claimed
US-5106867-A Administering substituted 1,3-benzodioxole antilipogenic agent AMERICAN CYANAMID COMPANY (US) 1992-04-21 US claimed
CN-101007804-B 1,3-benzodioxole-2,2-dicarboxylic acid derivatives and their preparation method and medicinal uses INST PHARM & TOXICOLOGY AMMS 2011-05-11 CN disclosed
CN-101007804-B 1,3-benzodioxole-2,2-dicarboxylic acid derivatives and their preparation method and medicinal uses INST PHARM & TOXICOLOGY AMMS 2011-05-11 CN disclosed
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP disclosed
CN-101007804-A 1,3-benzodioxole-2,2-dicarboxylic acid derivatives and their preparation method and medicinal uses POISON MED INST PLA MED ACAD (CN) 2007-08-01 CN disclosed
CN-101007804-A 1,3-benzodioxole-2,2-dicarboxylic acid derivatives and their preparation method and medicinal uses POISON MED INST PLA MED ACAD (CN) 2007-08-01 CN disclosed
CN-1874791-A Pharmaceutical composition containing beta-3-adrenoceptor agonists and alpha antagonists and/or 5-alpha reductase inhibitors BOEHRINGER INGELHEIM INT (DE) 2006-12-06 CN disclosed
US-6890955-B2 Aryloxypropanolamine derivatives, method of preparation and applications thereof VIRBAC SA (FR) 2005-05-10 US disclosed
WO-1995029903-A1 STEREOPREFERENTIAL SYNTHESIS OF 3-(1-PHENYLPROP-2-YL)-5-PHENYLOXAZOLIDINONES CELGENE CORPORATION (US) 1995-11-09 WO disclosed
US-5373020-A Antidiabetic, antiobesity, hyperglycemic agents AMERICAN CYANAMID COMPANY (US) 1994-12-13 US disclosed
EP-0608568-A1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID COMPANY (US) 1994-08-03 EP disclosed
US-5245053-A Resolution of diastereoisomers, reaction with Mosher's acid hypoglycemic agent, diabetes AMERICAN CYANAMID COMPANY (US) 1993-09-14 US disclosed
US-5151439-A Antidiabetic agents or antihyperglycemic agents AMERICAN CYANAMID COMPANY (US) 1992-09-29 US disclosed
US-5106867-A Administering substituted 1,3-benzodioxole antilipogenic agent AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
EP-0455006-A2 Substituted 5-(2-((2-aryl-2-hydroxyethyl)amino)propyl)-1,3-benzodioxoles AMERICAN CYANAMID COMPANY (US) 1991-11-06 EP disclosed
US-5061727-A ANTIOBESITY, ANTIDIABETIC, HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1991-10-29 US disclosed