SCHEMBL8339459

SCHEMBL8339459

COc1cc(CCCC2NC(=O)SC2=O)ccc1OCc1csc(CCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ECE1 P42892 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 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
RAF1 P04049 2/20 0.36
MAP2K1 Q02750 2/20 0.36
PPARG P37231 1/20 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
SCHEMBL6967428 0.88 ALDH1A1 (0.43) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL6583521 0.87 HDAC1 (0.43) HDAC1HDAC6MTNR1AMTNR1BMEN1
SCHEMBL8337135 0.85 MEN1 (0.39) HDAC1HDAC6MTNR1AMTNR1BMEN1
SCHEMBL8340545 0.85 MTNR1A (0.41) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL6960498 0.84 HDAC1 (0.45) HDAC1HDAC6MTNR1AMTNR1BMEN1
SCHEMBL6583517 0.81 PPARG (0.56) HDAC1HDAC6MTNR1AMTNR1BMEN1
SCHEMBL6969226 0.80 FFAR1 (0.41) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL6975089 0.78 PPARG (0.39) HDAC1HDAC6MTNR1AMTNR1BMEN1
SCHEMBL8341338 0.78 PPARG (0.41) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL4727181 0.76 PPARG (0.54) MTNR1AMTNR1BKMT2AMAPTPPARG

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