SCHEMBL8832671

SCHEMBL8832671

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL8833642 0.86 CYP19A1 (0.31) CYP19A1SIGMAR1
SCHEMBL9219553 0.83 LMNA (0.33) CYP19A1SIGMAR1
SCHEMBL8832980 0.83 LMNA (0.33) CYP19A1SIGMAR1
SCHEMBL8833282 0.80 SIGMAR1 (0.32) SIGMAR1
SCHEMBL8833409 0.80 ECE1 (0.32) SIGMAR1
SCHEMBL8833376 0.79 SIGMAR1 (0.33) CYP19A1SIGMAR1
SCHEMBL9220610 0.79 SIGMAR1 (0.33) CYP19A1SIGMAR1
SCHEMBL8833308 0.79 ALDH1A1 (0.31) SIGMAR1
SCHEMBL7807951 0.79 CYP19A1 (0.32) CYP19A1SIGMAR1
SCHEMBL8832761 0.78 CYP19A1 (0.31) CYP19A1SIGMAR1

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