SCHEMBL6582227

SCHEMBL6582227

COc1cc(C=CC=O)ccc1OCc1coc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
MTNR1A P48039 1/20 0.48
ALDH1A1 P00352 4/20 0.43
CA2 P00918 4/20 0.42
CA5A P35218 4/20 0.42
CA9 Q16790 4/20 0.42
APP P05067 3/20 0.42
FFAR1 O14842 1/20 0.42
XDH P47989 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
PPARA Q07869 4/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 3/20 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
SCHEMBL6582223 1.00 TRPA1 (0.48) TRPA1MTNR1AALDH1A1CA2CA5A
SCHEMBL6586838 0.91 KDM4E (0.46) ALDH1A1FFAR1KDM4EMAPTHPGD
SCHEMBL6586835 0.91 KDM4E (0.46) ALDH1A1FFAR1KDM4EMAPTHPGD
SCHEMBL6586658 0.89 ALDH1A1 (0.52) ALDH1A1FFAR1MAPTHPGDPPARA
SCHEMBL8482892 0.87 CA2 (0.57) ALDH1A1CA2CA5ACA9KDM4E
SCHEMBL8482890 0.87 CA2 (0.57) ALDH1A1CA2CA5ACA9KDM4E
SCHEMBL6583457 0.86 PTGS1 (0.44) ALDH1A1CA2CA5ACA9APP
SCHEMBL6583463 0.86 PTGS1 (0.44) ALDH1A1CA2CA5ACA9APP
SCHEMBL6581254 0.84 ALDH1A1 (0.37) ALDH1A1CA2CA5ACA9APP
SCHEMBL6971349 0.83 MEN1 (0.53) HPGD

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 8 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
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 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
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 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