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SCHEMBL11080145

SCHEMBL11080145

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(C(=O)OC(c3ccccc3)c3ccccc3)c3ccc(OC(=O)OCc4ccccc4)cc3)[C@H]2[S+]([O-])C1=[N+]=[N-]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.30
▸ PLCG1 P19174 1/20 0.30
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL11080150 1.00 ELANE (0.30) ELANEPLCG1PTGS1
SCHEMBL11078114 0.89 PTGS1 (0.33) PTGS1
SCHEMBL11078117 0.89 PTGS1 (0.33) PTGS1
SCHEMBL11104006 0.85 CTSB (0.33) ELANEPLCG1PTGS1
SCHEMBL11076132 0.85 CTSS (0.41) —
SCHEMBL11073574 0.84 ALDH1A1 (0.36) PTGS1
SCHEMBL11073575 0.84 ALDH1A1 (0.36) PTGS1
SCHEMBL11112544 0.83 PTGS1 (0.38) ELANEPLCG1PTGS1
SCHEMBL11077991 0.81 PTGS1 (0.37) PTGS1
SCHEMBL11077988 0.81 PTGS1 (0.37) PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040494-B1 CARBAPENAMS AND CARBAPEN-2-EMS AND PROCESS THEREFOR PFIZER INC. (US) 1984-02-15 — — EP disclosed
US-4429128-A CARBAPENICILLINS, THIENAMYCINS, BACTERICIDES PFIZER INC. (US) 1984-01-31 — — US disclosed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 — — US disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 — — EP disclosed
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