SCHEMBL11275951

SCHEMBL11275951

C=CCOC(=O)CCCS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FOLH1 Q04609 1/20 0.33
HSD17B10 Q99714 2/20 0.33
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8944013 0.92 TSHR (0.68) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL1460906 0.87
SCHEMBL463195 0.87 TSHR (0.70) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL153651 0.87 TSHR (0.77) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL11320666 0.85 TSHR (0.53) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL10581669 0.85 TSHR (0.53) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL10598502 0.85 TSHR (0.53) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL5392962 0.85 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL11131759 0.85 TSHR (0.74) TSHRALDH1A1GAAPKMSMN1; SMN2
SCHEMBL11795597 0.85 TSHR (0.81) TSHRALDH1A1GAAPKMSMN1; SMN2

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
US-4349468-A PENTAERYTHRITOL TETRAKIS(3-LAURYLTHIOPROPIONATE, FORMED FROM ALPHA-OLEFIN, 3-MERCAPTOPROPIONATE, AZONITRILE OR PEROXIDE CATALYST, PENTAERYTHRITOL ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-09-14 US disclosed
US-4321191-A THIO-CONTAINING POLYESTERS, POLYCARBONATES, AND COMPOUNDS; HEAT RESISTANCE; DISCOLORATION INHIBITION; MECHANICAL PROPERTIES ARGUS CHEMICAL CORP. (US) 1982-03-23 US disclosed
US-4239803-A CONTAINING ALKYLTHIOALKYLENECAROXYLIC ACID ESTER OF A POLYCARBOCYCC POLYHYDRIC PHENOL ARGUS CHEMICAL CORPORATION (US) 1980-12-16 US disclosed
US-4199495-A Thiolcarbonate ester stabilizers ARGUS CHEMICAL CORP. (US) 1980-04-22 US disclosed
US-4105629-A SYNTHETIC RESIN STABILIZER COMPRISING A THIOETHER ESTER AND HINDERED PHENOLIC CARBONATE ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed
US-4080364-A Stabilization of polyolefins against degradative deterioration as a result of exposure to light and air at elevated temperatures ARGUS CHEMICAL CORPORATION (US) 1978-03-21 US disclosed