SCHEMBL8303478

SCHEMBL8303478

COc1ccc(CC(CO)OC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 6/20 0.42
CYP3A4 P08684 1/20 0.42
CA2 P00918 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 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
SCHEMBL9314227 1.00 LDHA (0.52) LDHAMTNR1AMTNR1BALOX15ALOX12
SCHEMBL28888990 0.77 MTNR1A (0.55) LDHAMTNR1AMTNR1BALOX15ALOX12
SCHEMBL28888992 0.77 MTNR1A (0.55) LDHAMTNR1AMTNR1BALOX15ALOX12
SCHEMBL10771141 0.76 LDHA (0.51) LDHAMTNR1AMTNR1BALOX15ALOX12
SCHEMBL12485634 0.76 LDHA (0.51) LDHAMTNR1AMTNR1BALOX15ALOX12
SCHEMBL31489269 0.72 LDHA (0.53) LDHAALOX15ALOX12LMNAMMP1
SCHEMBL4277042 0.72 MTNR1A (0.45) LDHAMTNR1AMTNR1BALDH1A1CA2
SCHEMBL10728332 0.72 MTNR1A (0.74) LDHAMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL14811706 0.72 LDHA (0.52) LDHAMTNR1AMTNR1BALOX15ALOX12
SCHEMBL1303120 0.71 MTNR1A (0.54) LDHAMTNR1AMTNR1BALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455006-B1 Substituted 5-(2-((2-aryl-2-hydroxyethyl)amino)propyl)-1,3-benzodioxoles AMERICAN CYANAMID CO (US) 1999-07-07 EP disclosed
US-5373020-A Antidiabetic, antiobesity, hyperglycemic agents AMERICAN CYANAMID COMPANY (US) 1994-12-13 US 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