SCHEMBL4959664

SCHEMBL4959664

C=CCN1CCC[C@]1(C(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL3578169 0.89 ALDH1A1 (0.32) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL31499362 0.77 CYP4F2 (0.32) MAPTCYP4F2CYP4A11
SCHEMBL31499365 0.77 CYP4F2 (0.32) MAPTCYP4F2CYP4A11
SCHEMBL3953703 0.77 KDM4E (0.35) KDM4EALDH1A1GAA
SCHEMBL998215 0.76 HPGD (0.35) PPIAHPGDCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL30415065 0.75 EPHX1 (0.33) PPIAHPGDCYP4F2CYP4A11
SCHEMBL17595509 0.73 CYP4F2 (0.35) HPGDCYP4F2CYP4A11
SCHEMBL9854762 0.71 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL3950941 0.70 OPRK1 (0.41) PPIAALDH1A1
SCHEMBL19281600 0.69 CYP4F2 (0.35) HPGDCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874287-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES Innodia Inc. (CA) 2008-01-09 EP disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 EP disclosed
WO-2006131836-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES INNODIA INC. (US) 2006-12-14 WO disclosed
WO-2006120574-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF INNODIA INC. (CA) 2006-11-16 WO disclosed