SCHEMBL9619969

SCHEMBL9619969

CC1=C(C(=O)OC(C)(C)C)N2C(=O)C(N)[C@@H]2SC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.48
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
MAPK1 P28482 2/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC15A2 Q16348 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
SCHEMBL8669985 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
SCHEMBL9619966 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
SCHEMBL7429479 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
SCHEMBL8667999 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
SCHEMBL8668001 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
SCHEMBL7429468 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
SCHEMBL8669982 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
SCHEMBL7279284 1.00 ELANE (0.48) ELANEHSD17B10TDP1KDM4ETSHR
Hydrochloric Acid SCHEMBL10932577 0.99 ELANE (0.47) ELANEHSD17B10TDP1KDM4ETSHR
Hydrochloric Acid SCHEMBL10932585 0.99 ELANE (0.47) ELANEHSD17B10TDP1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
US-4734407-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
US-4547573-A BACTERICIDES ICI PHARMA (FR) 1985-10-15 US disclosed
US-4492694-A ORAL ADMINISTRATION ELI LILLY AND COMPANY (US) 1985-01-08 US disclosed
EP-0122157-A2 Improvements in or relating to indolylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0113965-A2 Process for the preparation of cephalosporin derivatives ICI PHARMA (FR) 1984-07-25 EP disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
US-4438265-A Esters of 7-sulfenyliminocephem-4-carboxylic acids SANKYO COMPANY LIMITED (JP) 1984-03-20 US disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed
US-4162251-A Process for the preparation of β-lactam compounds SANKYO COMPANY LIMITED (JP) 1979-07-24 US disclosed
US-4005074-A Process for cleaving an imido side chain from penicillins and cephalosporins ELI LILLY AND COMPANY (US) 1977-01-25 US disclosed
US-4001239-A CEPHALOSPORIN CLEAVAGE PROCESS ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3994888-A Cephalosporin cleavage process ELI LILLY AND COMPANY (US) 1976-11-30 US disclosed