SCHEMBL11082041

SCHEMBL11082041

CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)C(C(=O)OCc3ccccc3)c3ccccc3)[C@H]2[S+]([O-])C1=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ PLCG1 P19174 1/20 0.33
▸ ELANE P08246 5/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ ENO1 P06733 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
SCHEMBL11082044 1.00 PTGS1 (0.36) PTGS1USP2CYP3A4CHRM1PLCG1
SCHEMBL11077988 0.91 PTGS1 (0.37) PTGS1USP2CYP3A4CHRM1
SCHEMBL11077991 0.91 PTGS1 (0.37) PTGS1USP2CYP3A4CHRM1
SCHEMBL11080712 0.90 CTSS (0.38) PTGS1USP2CYP3A4CHRM1ALDH1A1
SCHEMBL11112544 0.88 PTGS1 (0.38) PTGS1CYP3A4PLCG1ELANEALDH1A1
SCHEMBL11086460 0.84 CTSL (0.33) PTGS1USP2CYP3A4CHRM1ALDH1A1
SCHEMBL11078750 0.84 PLCG1 (0.39) PTGS1USP2CYP3A4CHRM1PLCG1
SCHEMBL11096167 0.82 CYP3A4 (0.31) PTGS1USP2CYP3A4CHRM1ALDH1A1
SCHEMBL11076388 0.81 CTDSP1 (0.36) ALDH1A1L3MBTL1CTDSP1
SCHEMBL11076385 0.81 CTDSP1 (0.36) ALDH1A1L3MBTL1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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