SCHEMBL9979500

SCHEMBL9979500

Cc1ccc(N2Cc3c(COc4ccc5c(CC(=O)O)csc5c4)cccc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.51
PPARA Q07869 9/20 0.51
PPARG P37231 5/20 0.47
PTGER4 P35408 5/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38
UGCG Q16739 2/20 0.37
CD274 Q9NZQ7 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL9979576 0.93 PPARD (0.42) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL9979535 0.90 PPARD (0.67) PPARDPPARAPPARGPTGER4FFAR1
SCHEMBL9979532 0.90 PPARD (0.55) PPARDPPARAPPARGPTGER4ITGB3
SCHEMBL9979640 0.83 PPARD (0.51) PPARDPPARAPPARGPTGER4FFAR1
SCHEMBL9979615 0.83 PPARD (0.46) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL9979692 0.83 PPARD (0.56) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL9979534 0.78 FFAR1 (0.49) PPARDPPARAPPARGUGCGCD274
SCHEMBL9979488 0.77 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL9979490 0.77 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL9979584 0.76 POLB (0.44) PPARDFFAR1

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