SCHEMBL6583457

SCHEMBL6583457

COc1cc(/C=C/CO)ccc1OCc1coc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
APP P05067 4/20 0.43
CA2 P00918 4/20 0.42
CA5A P35218 4/20 0.42
CA9 Q16790 4/20 0.42
FFAR1 O14842 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6583463 1.00 PTGS1 (0.44) PTGS1APPCA2CA5ACA9
SCHEMBL8482892 0.87 CA2 (0.57) CA2CA5ACA9KDM4EALDH1A1
SCHEMBL8482890 0.87 CA2 (0.57) CA2CA5ACA9KDM4EALDH1A1
SCHEMBL6582189 0.87 FFAR1 (0.43) FFAR1PPARAPPARGTSHR
SCHEMBL6582193 0.87 FFAR1 (0.43) FFAR1PPARAPPARGTSHR
SCHEMBL6582227 0.86 TRPA1 (0.48) APPCA2CA5ACA9FFAR1
SCHEMBL6582223 0.86 TRPA1 (0.48) APPCA2CA5ACA9FFAR1
SCHEMBL6586658 0.85 ALDH1A1 (0.52) FFAR1ALDH1A1MAPTHPGDPPARA
SCHEMBL6584017 0.83 FDPS (0.59) APPCA2CA5ACA9KDM4E
SCHEMBL6584022 0.83 FDPS (0.59) APPCA2CA5ACA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed