SCHEMBL8340601

SCHEMBL8340601

COc1cc(CCCC2SC(=O)NC2=O)cc(OC)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
FFAR1 O14842 6/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HTT P42858 1/20 0.41
PPARA Q07869 2/20 0.41
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL8172629 0.87 PTPN1 (0.58) PTPN1FFAR1SIRT2CA2MEN1
SCHEMBL8340297 0.81 PTPN1 (0.48) PTPN1CA2
SCHEMBL6968711 0.80 PTPN1 (0.37) PTPN1FFAR1CA2MEN1KMT2A
SCHEMBL8336624 0.79 MEN1 (0.42) SIRT2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8208034 0.79 PPARG (0.51) FFAR1CA2KMT2AHTT
SCHEMBL6968318 0.78 TAAR1 (0.52) PTPN1CA2MEN1KMT2AMTNR1A
SCHEMBL8904473 0.77 MEN1 (0.43) PTPN1SIRT2MEN1KMT2AMTNR1A
SCHEMBL8182392 0.77 PTPN1 (0.66) PTPN1FFAR1SIRT2CA2MEN1
SCHEMBL8172522 0.75 CA2 (0.56) PTPN1FFAR1SIRT2CA2MEN1
SCHEMBL6960498 0.75 HDAC1 (0.45) PTPN1SIRT2MEN1KMT2AMTNR1A

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