SCHEMBL8833376

SCHEMBL8833376

C=CCOC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1CCc1nccn1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
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
SCHEMBL9220610 1.00 SIGMAR1 (0.33) SIGMAR1MMP2ANPEPARG1ARG2
SCHEMBL8833282 0.85 SIGMAR1 (0.32) SIGMAR1
SCHEMBL9210982 0.82 LMNA (0.36) MMP2ANPEPCYP19A1
SCHEMBL8832726 0.82 LMNA (0.36) MMP2ANPEPCYP19A1
SCHEMBL9212026 0.82 MMP2 (0.34) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8832958 0.82 MMP2 (0.34) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL9025949 0.81 SIGMAR1 (0.31) SIGMAR1MMP2ANPEPCYP19A1
SCHEMBL8833308 0.81 ALDH1A1 (0.31) SIGMAR1MMP2ANPEP
SCHEMBL8833468 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8832796 0.80

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