SCHEMBL9025949

SCHEMBL9025949

C=CCOC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1CCc1cncn1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
CYP19A1 P11511 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
SCHEMBL8832700 0.85 SIGMAR1 (0.30) SIGMAR1
SCHEMBL8832874 0.84 CYP19A1 (0.30) CYP19A1
SCHEMBL9212026 0.82 MMP2 (0.34) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8832958 0.82 MMP2 (0.34) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8834247 0.82 CYP19A1 (0.31) SIGMAR1CYP19A1
SCHEMBL8833376 0.81 SIGMAR1 (0.33) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL9220610 0.81 SIGMAR1 (0.33) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8834267 0.81 DRD2 (0.37) MMP2CYP19A1
SCHEMBL9215805 0.81 DRD2 (0.37) MMP2CYP19A1
SCHEMBL9025956 0.80 CYP19A1 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed