SCHEMBL8993585

SCHEMBL8993585

COc1cc(/C=C/C(=O)OCc2cc(=O)c(O)co2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.68
PPARA Q07869 2/20 0.68
MET P08581 8/20 0.62
CA12 O43570 3/20 0.62
CA4 P22748 3/20 0.62
CA6 P23280 3/20 0.62
CA5A P35218 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
CA5B Q9Y2D0 3/20 0.62
MAOB P27338 2/20 0.62
HTR7 P34969 1/20 0.57
EPHX2 P34913 1/20 0.57
ABCB1 P08183 1/20 0.56
AKR1B1 P15121 1/20 0.56
MAOA P21397 1/20 0.56
TTR P02766 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL8993581 1.00 PPARG (0.68) PPARGPPARAMETCA12CA4
SCHEMBL22366893 0.88 PPARG (0.71) PPARGPPARAMETHSD17B10
SCHEMBL22366895 0.88 PPARG (0.71) PPARGPPARAMETHSD17B10
SCHEMBL8993664 0.88 PPARG (0.59) PPARGPPARAAKR1B1TTRHSD17B10
SCHEMBL8993669 0.88 PPARG (0.59) PPARGPPARAAKR1B1TTRHSD17B10
SCHEMBL22385087 0.85 PPARG (0.67) PPARGPPARAMETMAOB
Ferulate SCHEMBL5907599 0.83 KDM4E (0.67) CA12CA4CA6CA5ACA7
SCHEMBL3219707 0.83 PPARG (0.63) PPARGPPARACA12CA4CA6
SCHEMBL3219709 0.83 PPARG (0.63) PPARGPPARACA12CA4CA6
SCHEMBL22390802 0.83 PPARG (0.69) PPARGPPARAMETCA12CA4

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
US-5486624-A FREE RADICAL SCAVENGERS, TYROSINASE INHIBITORS PACIFIC CORPORATION (KR) 1996-01-23 US disclosed