SCHEMBL6973327

SCHEMBL6973327

COc1cc(CCCC2SC(=O)NC2=O)ccc1OCc1csc(C=Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PPARG P37231 1/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL8888759 1.00 PTPN1 (0.42) PTPN1PPARGHPGDALDH1A1MAPT
SCHEMBL6967418 0.86 ALDH1A1 (0.47) PTPN1PPARGHPGDALDH1A1MAPT
SCHEMBL6975086 0.85 PTPN1 (0.42) PTPN1PPARGHPGDALDH1A1MAPT
SCHEMBL6969292 0.85 PTPN1 (0.42) PTPN1PPARGHPGDALDH1A1MAPT
SCHEMBL6584914 0.85 PPARG (0.55) PPARGHPGDALDH1A1MAPTKDM4E
SCHEMBL6584904 0.85 PPARG (0.55) PPARGHPGDALDH1A1MAPTKDM4E
SCHEMBL6960498 0.85 HDAC1 (0.45) PTPN1PPARGALDH1A1MAPTHDAC1
SCHEMBL8337135 0.84 MEN1 (0.39) PPARGHPGDALDH1A1MAPTKDM4E
SCHEMBL6584599 0.84 PPARG (0.39) PPARGHPGDALDH1A1MAPTKDM4E
SCHEMBL6583459 0.83 PPARG (0.53) PPARGHPGDALDH1A1MAPTKDM4E

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
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed