SCHEMBL9979622

SCHEMBL9979622

O=C(O)Cc1coc2cc(COc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.57
PPARA Q07869 6/20 0.57
PPARG P37231 3/20 0.57
FFAR1 O14842 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.40
SLC26A3 P40879 2/20 0.39
PTGER4 P35408 3/20 0.39
UGCG Q16739 3/20 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
SCHEMBL9979700 0.90 PPARD (0.46) PPARDPPARAPPARGSLC26A3PTGER4
SCHEMBL9979623 0.85 PPARD (0.67) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979617 0.81 PPARD (0.46) PPARDPPARAPPARGPTGER4UGCG
SCHEMBL9979633 0.77 PPARD (0.55) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979510 0.76 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL9979640 0.74 PPARD (0.51) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979669 0.74 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL5639006 0.73 PPARD (0.89) PPARDPPARAPPARGFFAR1
SCHEMBL9979624 0.73 PPARD (0.38) PPARDPPARAPPARGUGCG
SCHEMBL5640961 0.73 PPARD (0.82) PPARDPPARAPPARGFFAR1RXRA

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