Cephalothin

Cephalothin

SCHEMBL9159686

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Cephalothin. 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
MAPT P10636 8/20 1.00
TDP1 Q9NUW8 7/20 1.00
NR1I2 O75469 4/20 1.00
HPGD P15428 3/20 1.00
CTDSP1 Q9GZU7 2/20 1.00
SLC22A6 Q4U2R8 2/20 1.00
SLC22A8 Q8TCC7 2/20 1.00
SLC22A11 Q9NSA0 2/20 1.00
DNMT1 P26358 1/20 1.00
POLB P06746 3/20 0.84
CYP3A4 P08684 2/20 0.84
HSD17B10 Q99714 2/20 0.84
KDM4E B2RXH2 2/20 0.84
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
LMNA P02545 2/20 0.84
SMN1; SMN2 Q16637 2/20 0.84
GLA P06280 1/20 0.84
APEX1 P27695 1/20 0.84
PKM P14618 1/20 0.84

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
Cephalothin SCHEMBL1624515 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL11039891 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL10974577 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL16072835 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL5791156 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL4394024 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL4319851 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL2990 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL1331925 0.99 MAPT (0.98) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL148784 0.99 MAPT (0.98) MAPTTDP1NR1I2HPGDCTDSP1

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
US-5464616-A Antibiotic enzyme inhibitors and kits SYNPHAR LABORATORIES, IND. (CA) 1995-11-07 US disclosed