SCHEMBL9979576

SCHEMBL9979576

COC(=O)Cc1csc2cc(OCc3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
PPARG P37231 3/20 0.39
UGCG Q16739 3/20 0.38
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AOC3 Q16853 1/20 0.34
GRM1 Q13255 1/20 0.34
HTR2C P28335 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
SCHEMBL9979500 0.93 PPARD (0.51) PPARDPPARAPPARGUGCGITGB3
SCHEMBL9979692 0.91 PPARD (0.56) PPARDPPARAPPARGUGCGITGB3
SCHEMBL9979615 0.91 PPARD (0.46) PPARDPPARAPPARGUGCGITGB3
SCHEMBL9979535 0.82 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL9979532 0.82 PPARD (0.55) PPARDPPARAPPARGUGCGITGB3
SCHEMBL9979578 0.79 FFAR1 (0.43) UGCGPOLBTDP1NPC1PKM
SCHEMBL9979640 0.76 PPARD (0.51) PPARDPPARAPPARGPOLBSMN1; SMN2
SCHEMBL9979534 0.74 FFAR1 (0.49) PPARDPPARAPPARGUGCGNPC1
SCHEMBL9979490 0.73 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL9979488 0.73 PPARD (0.53) 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