SCHEMBL6965864

SCHEMBL6965864

COc1cc(/C=C/C=O)ccc1OCc1csc(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HPGD P15428 3/20 0.65
MAPT P10636 2/20 0.65
TRPA1 O75762 1/20 0.48
MTNR1A P48039 1/20 0.48
GAA P10253 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN9A Q15858 1/20 0.46
APP P05067 6/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6965868 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDMAPTTRPA1
SCHEMBL6972867 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL8337336 0.86 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL8337333 0.86 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6960790 0.84 MEN1 (0.58) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6960793 0.84 HPGD (0.56) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6585571 0.83 KDM4E (0.55) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6961283 0.83 KDM4E (0.81) ALDH1A1KDM4EHPGDMAPTAPP
SCHEMBL6961279 0.83 KDM4E (0.81) ALDH1A1KDM4EHPGDMAPTAPP
SCHEMBL6585566 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTGAA

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-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
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed