SCHEMBL9979489

SCHEMBL9979489

O=C(O)CC1CCc2cc(OCCCOc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.67
PPARA Q07869 9/20 0.67

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
SCHEMBL9979477 0.98 PPARD (0.63) PPARDPPARA
SCHEMBL9979642 0.92 PPARD (0.67) PPARDPPARA
SCHEMBL9979475 0.90 PPARD (0.53) PPARDPPARA
SCHEMBL9979568 0.90 PPARD (0.63) PPARDPPARA
SCHEMBL9979604 0.90 PPARD (0.62) PPARDPPARA
SCHEMBL9979593 0.88 PPARD (0.50) PPARDPPARA
SCHEMBL9979641 0.88 PPARD (0.59) PPARDPPARA
SCHEMBL9979564 0.88 PPARD (0.59) PPARDPPARA
SCHEMBL9979566 0.87 PPARD (0.58) PPARDPPARA
SCHEMBL9979670 0.83 PPARD (0.53) PPARDPPARA

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