SCHEMBL8337135

SCHEMBL8337135

COc1cc(CCCC2NC(=O)SC2=O)ccc1OCc1csc(C=Cc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
PPARG P37231 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL6584599 0.87 PPARG (0.39) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL6967428 0.86 ALDH1A1 (0.43) MEN1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL6975089 0.85 PPARG (0.39) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL8339459 0.85 HDAC1 (0.43) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL6583455 0.85 PPARG (0.37) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL8888759 0.84 PTPN1 (0.42) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL6973327 0.84 PTPN1 (0.42) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL6584904 0.82 PPARG (0.55) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL6584914 0.82 PPARG (0.55) MEN1KMT2AMTNR1AMTNR1BHDAC1
SCHEMBL6583459 0.80 PPARG (0.53) MEN1KMT2AMTNR1AMTNR1BHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed