SCHEMBL3322364

SCHEMBL3322364

CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.66
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 1/20 0.65
HSD17B1 P14061 5/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
RECQL P46063 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
STS P08842 7/20 0.63
ABCC4 O15439 1/20 0.63
CYP2C9 P11712 1/20 0.63
ABCC1 P33527 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
ESR1 P03372 2/20 0.60
ESR2 Q92731 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60

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
SCHEMBL26659900 1.00 CYP3A4 (0.66) CYP3A4KDM4EALDH1A1HSD17B1MAPT
Oleoylestrone SCHEMBL38079 0.95 KDM4E (0.62) CYP3A4KDM4EALDH1A1HSD17B1MAPT
SCHEMBL10037069 0.95 KDM4E (0.62) CYP3A4KDM4EALDH1A1HSD17B1MAPT
Oleoylestrone SCHEMBL14803698 0.95 KDM4E (0.62) CYP3A4KDM4EALDH1A1HSD17B1MAPT
Oleoylestrone SCHEMBL7929852 0.95 KDM4E (0.62) CYP3A4KDM4EALDH1A1HSD17B1MAPT
Oleoylestrone SCHEMBL2669491 0.95 KDM4E (0.62) CYP3A4KDM4EALDH1A1HSD17B1MAPT
Oleoylestrone SCHEMBL8069581 0.95 KDM4E (0.62) CYP3A4KDM4EALDH1A1HSD17B1MAPT
SCHEMBL14201209 0.94 KDM4E (0.61) CYP3A4KDM4EALDH1A1HSD17B1MAPT
SCHEMBL22070254 0.93 CYP3A4 (0.71) CYP3A4KDM4EALDH1A1HSD17B1MAPT
SCHEMBL3955146 0.93 KDM4E (0.60) CYP3A4KDM4EALDH1A1HSD17B1MAPT

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