SCHEMBL8340545

SCHEMBL8340545

COc1cc(CCCC2NC(=O)SC2=O)ccc1OCc1coc(CCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
PPARG P37231 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
APP P05067 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAF1 P04049 2/20 0.36
MAP2K1 Q02750 2/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6969226 0.88 FFAR1 (0.41) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL6587579 0.86 PPARG (0.40) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL6975089 0.85 PPARG (0.39) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL8339459 0.85 HDAC1 (0.43) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL6973190 0.84 PTPN1 (0.43) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL6587576 0.81 PPARG (0.58) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL6967428 0.81 ALDH1A1 (0.43) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL8800145 0.80 MTNR1A (0.37) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL8337135 0.78 MEN1 (0.39) MTNR1AMTNR1BPPARGKMT2AMEN1
SCHEMBL4727181 0.77 PPARG (0.54) MTNR1AMTNR1BPPARGKMT2AMAPT

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 1 patent. 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