SCHEMBL8833119

SCHEMBL8833119

C=CCOC(=O)N1C[C@@H](SC(C)=O)C[C@H]1CCn1cnc(CO)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31
ECE1 P42892 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
SCHEMBL8832537 0.86 ECE1 (0.31) SIGMAR1ECE1
SCHEMBL8833217 0.81 ALDH1A1 (0.34) SIGMAR1ECE1
SCHEMBL8834306 0.81 SIGMAR1 (0.30) SIGMAR1
SCHEMBL8832907 0.80 SIGMAR1 (0.31) SIGMAR1ECE1
SCHEMBL8832794 0.80 SIGMAR1 (0.33) SIGMAR1ECE1
SCHEMBL9213696 0.78 ECE1 (0.34) ECE1
SCHEMBL8833197 0.78 ECE1 (0.34) ECE1
SCHEMBL7805577 0.78 ECE1 (0.33) SIGMAR1ECE1
SCHEMBL9220659 0.78 ECE1 (0.30) ECE1
SCHEMBL9215991 0.77 ECE1 (0.34) SIGMAR1ECE1

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