SCHEMBL10458281

SCHEMBL10458281

O=[C]C([C]=O)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
DAO P14920 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.30
CYP2E1 P05181 1/20 0.30

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
SCHEMBL10805889 0.77
SCHEMBL10821317 0.77
SCHEMBL10621311 0.77
SCHEMBL7289321 0.77
Bromide SCHEMBL10821115 0.76 ALOX5 (0.40) ALOX5IDO1TDO2L3MBTL1CES2
SCHEMBL1992668 0.73 ALOX5 (0.41) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL31556324 0.67 CYP3A4 (0.44) ALOX5IDO1TDO2L3MBTL1CES2
SCHEMBL30295390 0.67 ALOX5 (0.47) ALOX5IDO1TDO2L3MBTL1CES2
SCHEMBL7827555 0.67
SCHEMBL1560841 0.67

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 US claimed
US-4388310-A ANTIBIOTIC MERCK & CO., INC. (US) 1983-06-14 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4281002-A ANTIBIOTICS MERCK & CO., INC. (US) 1981-07-28 US claimed
US-4277482-A AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1981-07-07 US claimed
US-4255423-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-10 US claimed
US-4226866-A BACTERICIDES, ACYLATION MERCK & CO., INC. (US) 1980-10-07 US claimed
US-4215124-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-07-29 US claimed
US-4197402-A Cephalosporin analogues SHIONOGI & CO., LTD. (JP) 1980-04-08 US claimed
EP-0002210-A1 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds MERCK & CO. INC. (US) 1979-06-13 EP claimed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US claimed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US claimed
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 US disclosed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US disclosed
EP-0134301-A1 6-(1'-Hydroxyethyl)-3-substituted amino-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid MERCK & CO. INC. (US) 1985-03-20 EP disclosed
US-4465687-A ANTIARTHRITIC AGENT, ENZYME INHIBITOR MERCK & CO., INC. (US) 1984-08-14 US disclosed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US disclosed
US-3979384-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-09-07 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3962231-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 US disclosed