SCHEMBL9979531

SCHEMBL9979531

O=C(O)Cn1ccc2cc(/C=C/c3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.42
PPARA Q07869 6/20 0.42
PPARG P37231 3/20 0.36
GCGR P47871 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
SERPINE1 P05121 2/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL9979472 0.91 GCGR (0.34) PPARDPPARAPPARGGCGRHDAC3
SCHEMBL9979611 0.83 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL9979701 0.83 PPARG (0.49) PPARDPPARAPPARG
SCHEMBL9979498 0.78 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL9979660 0.78 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL9979479 0.76 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL9979508 0.76 PPARD (0.38) PPARDPPARAPPARG
SCHEMBL9979504 0.76 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL9979654 0.75 PPARG (0.40) PPARDPPARAPPARG
SCHEMBL9979687 0.75 PPARD (0.56) PPARDPPARAPPARG

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