SCHEMBL7972024

SCHEMBL7972024

CCOP(=O)(CSC(C)=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PPARD Q03181 2/20 0.45
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL18481182 0.76 PPARD (0.48) TSHRPPARDCA12CA1CA2
SCHEMBL20524263 0.75 NOS1 (0.43) TSHRPPARDMAPTTP53TDP1
SCHEMBL12041344 0.72 CTSA (0.34) TSHR
SCHEMBL161140 0.72 TSHR (0.55) TSHRPPARDTP53TDP1
SCHEMBL4574672 0.71 TSHR (0.43) TSHRPPARDMAPTTP53TDP1
Acetic Acid SCHEMBL28974626 0.70 TSHR (0.75) TSHRPPARDMAPTTP53TDP1
SCHEMBL246813 0.70 TSHR (0.52) TSHRPPARDMAPTTP53TDP1
SCHEMBL3889468 0.70 TSHR (0.52) TSHRPPARDTP53TDP1
SCHEMBL13475373 0.69
SCHEMBL9475582 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed
US-5362906-A Antitumor MERCK & CO., INC. (US) 1994-11-08 US disclosed
US-5298655-A Enzyme inhibitors or anticarcinogenic agents MERCK & CO., INC. (US) 1994-03-29 US disclosed
EP-0534546-A1 Farnesyl pyrophosphate analogs MERCK & CO. INC. (US) 1993-03-31 EP disclosed
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 US disclosed