Piperacillin

Piperacillin

SCHEMBL8705019

CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Piperacillin. 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
▸ CYP3A4 P08684 4/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CCKBR P32239 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.48
▸ RECQL P46063 3/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SLC15A2 Q16348 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ TEK Q02763 1/20 0.48
▸ LMNA P02545 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL11078000 0.89 MAPT (0.51) CYP3A4USP2CHRM1PTGS1KMT2A
SCHEMBL11078002 0.89 MAPT (0.51) CYP3A4USP2CHRM1PTGS1KMT2A
Piperacillin SCHEMBL8704619 0.89 CYP3A4 (0.72) CYP3A4USP2CHRM1PTGS1KMT2A
Piperacillin SCHEMBL5694576 0.84 MEN1 (0.71) CYP3A4PTGS1KMT2AMEN1CCKBR
Piperacillin SCHEMBL27678278 0.82 MEN1 (0.73) PTGS1KMT2AMEN1CCKBRKDM4E
Piperacillin SCHEMBL24437361 0.80 MEN1 (0.77) PTGS1KMT2AMEN1CCKBRKDM4E
Piperacillin SCHEMBL3233001 0.80 MEN1 (0.77) PTGS1KMT2AMEN1CCKBRKDM4E
Piperacillin SCHEMBL14506140 0.80 MEN1 (0.77) PTGS1KMT2AMEN1CCKBRKDM4E
Piperacillin SCHEMBL4486297 0.80 MEN1 (0.77) PTGS1KMT2AMEN1CCKBRKDM4E
Piperacillin SCHEMBL11908507 0.80 MEN1 (0.77) PTGS1KMT2AMEN1CCKBRKDM4E

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
WO-1998022114-A1 A METHOD FOR PROMOTING TISSUE REPAIR DUMEX-ALPHARMA A/S (DK) 1998-05-28 — — WO disclosed
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