SCHEMBL8833776

SCHEMBL8833776

C=CCOC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1Cc1cncnc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL9220068 1.00 SIGMAR1 (0.33) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8833390 0.84 SIGMAR1 (0.34) SIGMAR1CYP19A1
SCHEMBL8833008 0.82 SIGMAR1 (0.32) SIGMAR1CYP19A1
SCHEMBL9027799 0.82 GPR119 (0.33) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL9215805 0.82 DRD2 (0.37) MMP2CYP19A1
SCHEMBL9027754 0.82 MMP2 (0.34) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8834267 0.82 DRD2 (0.37) MMP2CYP19A1
SCHEMBL9027794 0.82 GPR119 (0.33) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL9027764 0.82 MMP2 (0.34) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8832958 0.81 MMP2 (0.34) SIGMAR1MMP2ANPEPCYP19A1

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
US-5608056-A Substituted 3-pyrrolidinylthio-carbapenems as antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1993021186-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-28 WO disclosed