SCHEMBL6964722

SCHEMBL6964722

CC(C)Oc1ccc(CCCC2NC(=O)SC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GLA P06280 1/20 0.40
ACACB O00763 4/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM4A O75164 1/20 0.36
MAPT P10636 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX3 P56373 2/20 0.34
TSHR P16473 1/20 0.34
TSPO P30536 1/20 0.33

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
SCHEMBL6960177 0.96 POLB (0.40) POLBGLAACACBKDM4EKDM4A
SCHEMBL6971459 0.95 POLB (0.40) POLBGLAACACBKDM4EKDM4A
SCHEMBL6959464 0.92 POLB (0.43) POLBGLAACACBKDM4EKDM4A
SCHEMBL8888904 0.78 ESR1 (0.38) KDM4ELMNAL3MBTL1
SCHEMBL7160667 0.77 GLA (0.40) POLBGLAACACBKDM4EKDM4A
SCHEMBL6964713 0.74 GLA (0.45) POLBGLAKDM4EMAPTTSHR
SCHEMBL8887977 0.74 ESR1 (0.40) KDM4ELMNA
SCHEMBL7166844 0.73 GLA (0.39) POLBGLAACACBKDM4EKDM4A
SCHEMBL8890490 0.73 ESR1 (0.42) KDM4ELMNA
SCHEMBL7166413 0.72 GLA (0.38) POLBGLAACACBKDM4EKDM4A

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 6 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
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