SCHEMBL3320552

SCHEMBL3320552

CCCCCCCCCCCCCCCCC/C=C/C(=O)Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.55
PPARA Q07869 5/20 0.55
TERT O14746 3/20 0.53
PTPN1 P18031 3/20 0.53
PPARD Q03181 3/20 0.53
FAAH O00519 3/20 0.53
CYP1A2 P05177 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C19 P33261 2/20 0.53
BLM P54132 2/20 0.53
HSD17B10 Q99714 2/20 0.53
FABP4 P15090 2/20 0.53
KMT2A Q03164 2/20 0.53
TOP1 P11387 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL1114660 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL16039206 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL11609617 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL6675386 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL7871838 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL22265806 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL1114659 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL7752489 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL8858238 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD
SCHEMBL17090792 1.00 PPARG (0.55) PPARGPPARATERTPTPN1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119595-A1 Monounsaturated fatty acids and perhydrocyclopentanophenanthrene nucleus combination molecules, and their precursors, and the use of all of these as weight-loss agents GIROUARD MICHAEL P 2010-05-13 US disclosed
EP-1594481-A4 MONOUNSATURATED FATTY ACIDS AND PERHYDROCYCLOPENTANOPHENANTHRENE NUCLEUS COMBINATION MOLECULES, AND THEIR PRECURSORS, AND THE USE OF ALL OF THESE AS WEIGHT-LOSS AGENTS GIROUARD MICHAEL P (US) 2006-05-17 EP disclosed
EP-1594481-A2 MONOUNSATURATED FATTY ACIDS AND PERHYDROCYCLOPENTANOPHENANTHRENE NUCLEUS COMBINATION MOLECULES, AND THEIR PRECURSORS, AND THE USE OF ALL OF THESE AS WEIGHT-LOSS AGENTS Girouard, Michael P. (US) 2005-11-16 EP disclosed
US-6821961-B2 MIXTURE CONTAINING REACTION PRODUCT OF FATTY ACID AND ESTROGEN GIROUARD MICHAEL P (US) 2004-11-23 US disclosed
US-20040157816-A1 Monounsaturated fatty acids and perhydrocyclopentanophenanthrene nucleus combination molecules, and their precursors, and the use of all of these as weight-loss agents GIROUARD MICHAEL P (US) 2004-08-12 US disclosed
WO-2004045560-A2 COMBINATION OF MONOUNSATURATED FATTY ACIDS AND ESTOGEN, AND THEIR USE GIROUARD MICHAEL P (US) 2004-06-03 WO disclosed
US-20030114431-A1 Monounsaturated fatty acids of at least 20 carbon atoms and perhydrocyclopentanophenanthrene nucleus combination molecules and their use as weight-loss agents GIROUARD MICHAEL P (US) 2003-06-19 US disclosed
WO-2003018529-A1 MONOUNSATURATED FATTY ACIDS OF AT LEAST 20 CARBON ATOMS AND PERHYDROCYCLOPENTANOPHENANTHRENE NUCLEUS COMBINATION MOLECULES AND THEIR USE AS WEIGHT-LOSS AGENTS GIROUARD MICHAEL P (US) 2003-03-06 WO disclosed