SCHEMBL8833409

SCHEMBL8833409

C=CCOC(=O)N1C[C@@H](SC(C)=O)C[C@H]1CCn1cccn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.32
METAP2 P50579 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
THRB P10828 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
SCHEMBL9543531 0.86 SIGMAR1 (0.31) ECE1SIGMAR1
SCHEMBL8833217 0.82 ALDH1A1 (0.34) ECE1SIGMAR1
SCHEMBL8832671 0.80 CYP19A1 (0.31) SIGMAR1
SCHEMBL8832794 0.79 SIGMAR1 (0.33) ECE1SIGMAR1
SCHEMBL8833468 0.79 SIGMAR1 (0.33) ECE1SIGMAR1
SCHEMBL7805577 0.79 ECE1 (0.33) ECE1SIGMAR1
SCHEMBL9215991 0.78 ECE1 (0.34) ECE1SIGMAR1
SCHEMBL8833259 0.78 ECE1 (0.34) ECE1SIGMAR1
SCHEMBL8832733 0.77 FAAH (0.34) ECE1SIGMAR1
SCHEMBL9466475 0.77 LMNA (0.31) ECE1

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