SCHEMBL8833308

SCHEMBL8833308

C=CCOC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1CCn1ccnc1C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 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
SCHEMBL8833282 0.87 SIGMAR1 (0.32) SIGMAR1
SCHEMBL8832706 0.82
SCHEMBL8832796 0.81
SCHEMBL9031817 0.81 NPSR1 (0.33) NPSR1
SCHEMBL8833376 0.81 SIGMAR1 (0.33) SIGMAR1MMP2ANPEP
SCHEMBL9220610 0.81 SIGMAR1 (0.33) SIGMAR1MMP2ANPEP
SCHEMBL8832731 0.81 SIGMAR1 (0.30) SIGMAR1MMP2ANPEP
SCHEMBL8832804 0.80
SCHEMBL8832980 0.79 LMNA (0.33) ALDH1A1LMNASIGMAR1
SCHEMBL8833642 0.79 CYP19A1 (0.31) SIGMAR1

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