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SCHEMBL11096167

SCHEMBL11096167

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ MAPT P10636 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
SCHEMBL11086460 0.95 CTSL (0.33) CYP3A4ALDH1A1TSHRUSP2CHRM1
SCHEMBL11080712 0.89 CTSS (0.38) CYP3A4ALDH1A1TSHRUSP2CHRM1
SCHEMBL11082041 0.82 PTGS1 (0.36) CYP3A4ALDH1A1USP2CHRM1PTGS1
SCHEMBL11082044 0.82 PTGS1 (0.36) CYP3A4ALDH1A1USP2CHRM1PTGS1
SCHEMBL11076132 0.79 CTSS (0.41) CYP3A4MAPT
SCHEMBL11080922 0.78 CTSS (0.43) PTGS1
SCHEMBL11080150 0.78 ELANE (0.30) PTGS1
SCHEMBL11080145 0.78 ELANE (0.30) PTGS1
SCHEMBL11079896 0.77 MAPT (0.39) CYP3A4TSHRUSP2CHRM1PTGS1
SCHEMBL11079900 0.77 MAPT (0.39) CYP3A4TSHRUSP2CHRM1PTGS1

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
EP-0040494-B1 CARBAPENAMS AND CARBAPEN-2-EMS AND PROCESS THEREFOR PFIZER INC. (US) 1984-02-15 — — EP disclosed
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