Methicillin

Methicillin

SCHEMBL11207170

COc1cccc(OC)c1C(=O)NC1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.[NaH].[NaH]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

mecApbp2pbp4pbpApbpF

The experimentally established mechanism targets of Methicillin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.98
PDE3A Q14432 1/20 0.98
LMNA P02545 4/20 0.79
ABCB11 O95342 4/20 0.62
HRH1 P35367 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 6/20 0.56
RECQL P46063 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
TEK Q02763 1/20 0.56
SLC15A2 Q16348 1/20 0.56
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52

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
Methicillin SCHEMBL10743888 1.00 PTGS1 (0.98) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL34136 1.00 PTGS1 (0.98) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL15544897 0.99 PTGS1 (1.00) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL30686387 0.99 PTGS1 (1.00) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL4548766 0.99 PTGS1 (1.00) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL6930787 0.99 PTGS1 (1.00) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL4898 0.99 PTGS1 (1.00) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL28422658 0.98 PTGS1 (0.98) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL29184234 0.98 PTGS1 (0.98) PTGS1PDE3ALMNAABCB11HRH1
Methicillin SCHEMBL28861820 0.97 PTGS1 (0.96) PTGS1PDE3ALMNAABCB11HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083484-A1 1,1-Alkanediol dicarboxylate linked antibacterial agents PFIZER INC. (US) 1983-07-13 EP disclosed