SCHEMBL9979593

SCHEMBL9979593

CCOC(=O)CC1CCc2cc(OCCOc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.50
PPARA Q07869 9/20 0.50
PPARG P37231 1/20 0.42
UGCG Q16739 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL9979475 0.98 PPARD (0.53) PPARDPPARA
SCHEMBL9979476 0.93 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL9979499 0.92 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL9979487 0.91 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL9979477 0.90 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL9979567 0.90 PPARD (0.53) PPARDPPARA
SCHEMBL9979638 0.89 PPARD (0.47) PPARDPPARAPPARGUGCGCYP11B1
SCHEMBL9979485 0.89 PPARD (0.47) PPARDPPARAPPARGUGCGCYP11B1
SCHEMBL9979489 0.88 PPARD (0.67) PPARDPPARA
SCHEMBL9979589 0.85 CYP11B1 (0.44) PPARDPPARAPPARGUGCGCYP11B1

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