SCHEMBL3086758

SCHEMBL3086758

COC(=O)CCSCSCCC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 4/20 0.42
LMNA P02545 4/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
SLC1A1 P43005 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL112204 0.90 TSHR (0.63) TSHRKMT2AMEN1HSD17B10LMNA
SCHEMBL15282755 0.87 TSHR (0.60) TSHRKMT2AMEN1HSD17B10LMNA
SCHEMBL1709989 0.83
SCHEMBL1845437 0.83 TSHR (0.55) TSHRKMT2AMEN1HSD17B10LMNA
SCHEMBL1736007 0.81 TSHR (0.52) TSHRKMT2AMEN1HSD17B10LMNA
SCHEMBL5414056 0.81
SCHEMBL10606947 0.81 TSHR (0.52) TSHRKMT2AMEN1HSD17B10LMNA
SCHEMBL19862693 0.81
SCHEMBL22345266 0.81
SCHEMBL12231849 0.81 TSHR (0.52) TSHRKMT2AMEN1HSD17B10LMNA

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-9783658-B2 Rubber mixtures containing silicic acid and sulfur-containing additives LANXESS DEUTSCHLAND GMBH (DE) 2017-10-10 US disclosed
US-9249285-B2 Rubber blends containing silicic acid and comprising additives containing sulphur LANXESS DEUTSCHLAND GMBH (DE) 2016-02-02 US disclosed
US-20150166774-A1 RUBBER BLENDS CONTAINING SILICIC ACID AND COMPRISING ADDITIVES CONTAINING SULPHUR LANXESS DEUTSCHLAND GMBH (DE) 2015-06-18 US disclosed
US-20140155518-A1 RUBBER MIXTURES CONTAINING SILICIC ACID AND SULFUR-CONTAINING ADDITIVES LANXESS DEUTSCHLAND GMBH (DE) 2014-06-05 US disclosed
US-20100234552-A1 POLYOL COMPOUND, TRANSPARENT MOLDED ARTICLE AND METHOD OF MANUFACTURING TRANSPARENT MOLDED ARTICLE HOYA CORPORATION (JP) 2010-09-16 US disclosed
US-20060155093-A1 Polyol compound, transparent molded article and method of manufacturing transparent molded article HOYA CORPORATION (JP) 2006-07-13 US disclosed
EP-1640394-A1 POLYOL COMPOUND, TRANSPARENT MOLDED OBJECTS, AND PROCESS FOR PRODUCING TRANSPARENT MOLDED OBJECT HOYA CORPORATION (JP) 2006-03-29 EP disclosed