SCHEMBL8833468

SCHEMBL8833468

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ECE1 P42892 1/20 0.31

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
SCHEMBL8832794 0.85 SIGMAR1 (0.33) SIGMAR1ECE1
SCHEMBL8833259 0.82 ECE1 (0.34) SIGMAR1ECE1
SCHEMBL9215991 0.82 ECE1 (0.34) SIGMAR1ECE1
SCHEMBL8832733 0.82 FAAH (0.34) SIGMAR1ECE1
SCHEMBL8833376 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL9220610 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8832597 0.79 ECE1 (0.36) SIGMAR1ECE1
SCHEMBL9027366 0.79 ECE1 (0.33) SIGMAR1ECE1
SCHEMBL8833409 0.79 ECE1 (0.32) SIGMAR1ECE1
SCHEMBL8833217 0.79 ALDH1A1 (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 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