SCHEMBL28549065

SCHEMBL28549065

C#CC(Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
LDHA P00338 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CTSS P25774 7/20 0.45
CTSK P43235 7/20 0.45
CACNA1B Q00975 2/20 0.44
ACACB O00763 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MMP1 P03956 1/20 0.44
CTSB P07858 2/20 0.44
CTSL P07711 1/20 0.44
ATM Q13315 1/20 0.43
FPR2 P25090 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL12765945 1.00 PPARG (0.49) PPARGPPARALDHAITGB3ITGA2B
SCHEMBL27484314 0.88 PPARG (0.50) PPARGPPARALDHAITGB3ITGA2B
SCHEMBL20415660 0.87 CTSL (0.53) PPARGPPARALDHAITGB3ITGA2B
SCHEMBL28912771 0.87 CTSL (0.53) PPARGPPARALDHAITGB3ITGA2B
SCHEMBL1519747 0.85 CTSS (0.58) PPARGPPARACTSSCTSKCTSB
SCHEMBL1519749 0.85 CTSS (0.58) PPARGPPARACTSSCTSKCTSB
SCHEMBL17865714 0.85 CTSS (0.58) PPARGPPARACTSSCTSKCTSB
SCHEMBL2550244 0.84 PPARG (0.50) PPARGPPARAITGB3ITGA2BCTSS
SCHEMBL12766383 0.84 PPARG (0.50) PPARGPPARAITGB3ITGA2BCTSS
SCHEMBL20397698 0.83 PPARG (0.52) PPARGPPARALDHAITGB3ITGA2B

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
CN-107848962-B Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2021-04-09 CN disclosed