SCHEMBL9215966

SCHEMBL9215966

C=CCOC(=O)N1CC(OS(C)(=O)=O)CC1CC#N

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 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
SCHEMBL8834391 1.00 CYP19A1 (0.31) CYP19A1SIGMAR1MMP2ANPEP
SCHEMBL7807951 0.86 CYP19A1 (0.32) CYP19A1SIGMAR1MMP2ANPEP
SCHEMBL9374200 0.85 CYP19A1 (0.32) CYP19A1SIGMAR1MMP2ANPEP
SCHEMBL9374194 0.85 CYP19A1 (0.32) CYP19A1SIGMAR1MMP2ANPEP
SCHEMBL8832761 0.83 CYP19A1 (0.31) CYP19A1SIGMAR1MMP2ANPEP
SCHEMBL9213704 0.83 CYP19A1 (0.31) CYP19A1SIGMAR1MMP2ANPEP
SCHEMBL9220972 0.82 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8832944 0.82 SIGMAR1 (0.31) SIGMAR1
SCHEMBL4292035 0.80 MMP2 (0.32) MMP2ANPEP
SCHEMBL8066243 0.80 MEN1 (0.36)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed