SCHEMBL8832772

SCHEMBL8832772

C=CCOC(=O)N1C[C@H](O)C[C@H]1CCn1cncc1COC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL8832874 0.87 CYP19A1 (0.30) CYP19A1
SCHEMBL8832721 0.86 ECE1 (0.31) SIGMAR1
SCHEMBL8834015 0.81 CHRM5 (0.35) SIGMAR1
SCHEMBL9214070 0.81 CHRM5 (0.35) SIGMAR1
SCHEMBL8832516 0.79
SCHEMBL9542123 0.79
SCHEMBL8832700 0.78 SIGMAR1 (0.30) SIGMAR1
SCHEMBL8832907 0.77 SIGMAR1 (0.31) SIGMAR1
SCHEMBL27531638 0.76 CYP19A1 (0.30) CYP19A1
SCHEMBL8834252 0.75

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