SCHEMBL9979638

SCHEMBL9979638

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.47
PPARA Q07869 7/20 0.47
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PPARG P37231 2/20 0.39
FFAR1 O14842 1/20 0.39
UGCG Q16739 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL9979485 1.00 PPARD (0.47) PPARDPPARACYP11B1CYP11B2PPARG
SCHEMBL9979589 0.96 CYP11B1 (0.44) PPARDPPARACYP11B1CYP11B2PPARG
SCHEMBL9979507 0.93 PPARD (0.47) PPARDPPARACYP11B1CYP11B2PPARG
SCHEMBL9979501 0.93 PPARD (0.47) PPARDPPARACYP11B1CYP11B2PPARG
SCHEMBL9979690 0.92 PPARD (0.43) PPARDPPARAPPARGFFAR1
SCHEMBL9979572 0.92 PPARD (0.43) PPARDPPARAPPARGFFAR1
SCHEMBL9979512 0.90 PPARD (0.41) PPARDPPARAPPARGFFAR1
SCHEMBL9979502 0.90 PPARD (0.41) PPARDPPARAPPARGFFAR1
SCHEMBL9979641 0.90 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL9979564 0.90 PPARD (0.59) PPARDPPARAPPARGFFAR1

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