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SCHEMBL11077991

SCHEMBL11077991

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CHRM1 P11229 1/20 0.37

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
SCHEMBL11077988 1.00 PTGS1 (0.37) PTGS1USP2CYP3A4CHRM1
SCHEMBL11082044 0.91 PTGS1 (0.36) PTGS1USP2CYP3A4CHRM1
SCHEMBL11082041 0.91 PTGS1 (0.36) PTGS1USP2CYP3A4CHRM1
SCHEMBL11078117 0.89 PTGS1 (0.33) PTGS1CYP3A4
SCHEMBL11078114 0.89 PTGS1 (0.33) PTGS1CYP3A4
SCHEMBL11073575 0.87 ALDH1A1 (0.36) PTGS1CYP3A4
SCHEMBL11073574 0.87 ALDH1A1 (0.36) PTGS1CYP3A4
SCHEMBL11080712 0.84 CTSS (0.38) PTGS1USP2CYP3A4CHRM1
SCHEMBL11104006 0.84 CTSB (0.33) PTGS1
SCHEMBL11078261 0.84 CYP3A4 (0.38) PTGS1USP2CYP3A4CHRM1

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-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
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