SCHEMBL6967418

SCHEMBL6967418

COc1cc(CCCC2SC(=O)NC2=O)ccc1OCc1csc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
PTPN1 P18031 2/20 0.45
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.42
GAA P10253 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL6960498 0.88 HDAC1 (0.45) ALDH1A1MAPTPTPN1GAAMTNR1A
SCHEMBL8888759 0.86 PTPN1 (0.42) ALDH1A1KDM4EHPGDMAPTPTPN1
SCHEMBL6973327 0.86 PTPN1 (0.42) ALDH1A1KDM4EHPGDMAPTPTPN1
SCHEMBL6969220 0.85 PTPN1 (0.44) ALDH1A1PTPN1SMN1; SMN2GAAMTNR1A
SCHEMBL6584211 0.84 PPARG (0.57) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL6973328 0.84 PTPN1 (0.45) ALDH1A1MAPTPTPN1GAAMTNR1A
SCHEMBL6967428 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL6584217 0.82 KDM4E (0.43) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL6973190 0.81 PTPN1 (0.43) ALDH1A1KDM4EMAPTPTPN1GAA
SCHEMBL4727180 0.81 PPARG (0.57) MAPTPTPN1SMN1; SMN2KCNH2PPARA

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-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