SCHEMBL9979468

SCHEMBL9979468

CCOC(=O)Cn1ccc2cc(OCCOc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.45
PPARA Q07869 9/20 0.45
UGCG Q16739 6/20 0.40
PPARG P37231 8/20 0.39
CHRNB2 P17787 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL9979508 0.93 PPARD (0.38) PPARDPPARAUGCGPPARG
SCHEMBL9979654 0.91 PPARG (0.40) PPARDPPARAUGCGPPARG
SCHEMBL9979504 0.90 PPARD (0.56) PPARDPPARAUGCGPPARG
SCHEMBL9979610 0.89 PPARD (0.54) PPARDPPARAUGCGPPARG
SCHEMBL9979687 0.88 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL9979611 0.82 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL9979701 0.80 PPARG (0.49) PPARDPPARAPPARG
SCHEMBL9979593 0.79 PPARD (0.50) PPARDPPARAUGCGPPARG
SCHEMBL9979479 0.79 PPARD (0.68) PPARDPPARAUGCGPPARG
SCHEMBL9979472 0.78 GCGR (0.34) PPARDPPARAUGCGPPARG

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