SCHEMBL8718137

SCHEMBL8718137

NCOCC1C(=O)N2C(C(=O)O)=CCS[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC15A2 Q16348 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
PTGS2 P35354 1/20 0.39
SPOP O43791 1/20 0.36
PSMD14 O00487 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL10670083 0.85 KDM4E (0.42) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL8882343 0.85 KDM4E (0.39) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL8077885 0.84 NR1I2 (0.42) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL7636710 0.82 NR1I2 (0.39) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10696803 0.81 KDM4E (0.41) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL9198941 0.81 SPOP (0.41) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL9190737 0.81 KDM4E (0.41) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10436335 0.80 KDM4E (0.40) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL10693978 0.79 NR1I2 (0.39) KDM4EALDH1A1CYP3A4MAPTAPEX1
SCHEMBL9388602 0.79 NR1I2 (0.38) KDM4EALDH1A1CYP3A4MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570849-B1 Process for the cleavage of cephalosporin prodrug esters to 7-amino-3-methoxymethylceph-3-em-4-carboxylic acid HOECHST AG (DE) 1998-03-25 EP disclosed
US-5410042-A Process for the cleavage of cephalosporin prodrug esters to 7-amino-3-methoxymethylceph-3-em-4-carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0570849-A2 Cleavage process of cephalosporin prodrug esters in 7-amino-3-methoxymethylceph-3-em-4-carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-24 EP disclosed