SCHEMBL4436302

SCHEMBL4436302

CCOC(=O)/C=C/c1coc(OC(=O)O)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 2/20 0.39
ESR1 P03372 1/20 0.38
P2RY12 Q9H244 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAOB P27338 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL3335564 0.82 TTR (0.42) TTRDPP4CA12CA1CA2
SCHEMBL3335571 0.82 TTR (0.42) TTRDPP4CA12CA1CA2
SCHEMBL11054639 0.68 CA12 (0.57) TTRDPP4CA12CA1CA2
SCHEMBL8342115 0.67 CA12 (0.53) TTRDPP4CA12CA1CA2
SCHEMBL18260176 0.67 CA12 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL9268022 0.66 TTR (0.51) TTRDPP4CA12CA1CA2
SCHEMBL15764946 0.66 TTR (0.51) TTRDPP4CA12CA1CA2
SCHEMBL10783189 0.66 CA12 (0.59) TTRDPP4CA12CA1CA2
SCHEMBL10328620 0.66 ALDH1A1 (0.43) TTRCA12CA1CA2CA7
SCHEMBL757937 0.65 CYP3A4 (0.51) TTRDPP4CA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120923-B1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI SA (FR) 2012-07-18 EP disclosed
EP-2120923-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008086949-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2008-07-24 WO disclosed