SCHEMBL9979646

SCHEMBL9979646

CCOC(=O)CC1CCc2cc(/C=C/c3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
PPARA Q07869 4/20 0.38
PPARD Q03181 3/20 0.38
UGCG Q16739 4/20 0.36
PPARG P37231 2/20 0.35
NR1H3 Q13133 1/20 0.34
CMA1 P23946 3/20 0.34
CHRNB2 P17787 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA4 P43681 1/20 0.34
HSD17B1 P14061 1/20 0.33
CBLB Q13191 1/20 0.32

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
SCHEMBL9979673 0.92 RAB9A (0.36) CYP11B1CYP11B2PPARAPPARDUGCG
SCHEMBL9979609 0.91 PPARA (0.41) CYP11B1CYP11B2PPARAPPARDPPARG
SCHEMBL9979674 0.90 PPARD (0.47) PPARAPPARDUGCGPPARGNR1H3
SCHEMBL9979691 0.84 CYP11B1 (0.40) CYP11B1CYP11B2PPARAPPARDUGCG
SCHEMBL9979485 0.83 PPARD (0.47) CYP11B1CYP11B2PPARAPPARDUGCG
SCHEMBL9979638 0.83 PPARD (0.47) CYP11B1CYP11B2PPARAPPARDUGCG
SCHEMBL9979579 0.83 PPARD (0.41) PPARAPPARDPPARG
SCHEMBL9979593 0.82 PPARD (0.50) CYP11B1CYP11B2PPARAPPARDUGCG
SCHEMBL9979498 0.82 PPARD (0.51) PPARAPPARDPPARG
SCHEMBL9979475 0.82 PPARD (0.53) PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed