SCHEMBL10458682

SCHEMBL10458682

O=[C]C([C]=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
KEAP1 Q14145 1/20 0.42
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DAO P14920 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
SCHEMBL10640503 0.87 ALOX5 (0.42) ALOX5CES2CES1KEAP1ATM
SCHEMBL2171539 0.77
SCHEMBL22551753 0.77
SCHEMBL144120 0.77
SCHEMBL4402179 0.77
SCHEMBL11325649 0.77
SCHEMBL7196351 0.77
SCHEMBL7440903 0.77
SCHEMBL11473089 0.77
SCHEMBL7596019 0.76 ALOX5 (0.43) ALOX5CES2CES1KEAP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117143-A2 Cephalosporin hydroxamic acids, their preparation, antibacterial formulations comprising the same, and their use in combating bacteria SHIONOGI & CO., LTD. (JP) 1984-08-29 EP 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-4215124-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-07-29 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-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-4428960-A AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1984-01-31 US disclosed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 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