SCHEMBL9979690

SCHEMBL9979690

CCOC(=O)C[C@@H]1CCc2cc(OCc3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.43
FFAR1 O14842 1/20 0.41
PPARA Q07869 7/20 0.41
PPARG P37231 5/20 0.39
CD274 Q9NZQ7 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL9979572 1.00 PPARD (0.43) PPARDFFAR1PPARAPPARGCD274
SCHEMBL9979519 0.95 FFAR1 (0.43) PPARDFFAR1PPARAPPARGCD274
SCHEMBL9979502 0.94 PPARD (0.41) PPARDFFAR1PPARAPPARGCD274
SCHEMBL9979512 0.94 PPARD (0.41) PPARDFFAR1PPARAPPARGCD274
SCHEMBL9979501 0.92 PPARD (0.47) PPARDFFAR1PPARAPPARGCD274
SCHEMBL9979485 0.92 PPARD (0.47) PPARDFFAR1PPARAPPARG
SCHEMBL9979507 0.92 PPARD (0.47) PPARDFFAR1PPARAPPARGCD274
SCHEMBL9979638 0.92 PPARD (0.47) PPARDFFAR1PPARAPPARG
SCHEMBL9979488 0.91 PPARD (0.53) PPARDFFAR1PPARAPPARG
SCHEMBL9979490 0.91 PPARD (0.53) PPARDFFAR1PPARAPPARG

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