SCHEMBL9027200

SCHEMBL9027200

C=CCOC(=O)N1CC(OS(C)(=O)=O)CC1Cc1cnc(CC(=O)OCC)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
F10 P00742 1/20 0.30
PLG P00747 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9027302 0.90 CYP19A1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL9027186 0.88 CYP19A1 (0.33) CYP19A1HSD17B10
SCHEMBL9026908 0.85 CYP19A1 (0.31) CYP19A1
SCHEMBL9027934 0.80 CYP19A1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL9025956 0.80 CYP19A1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL9027198 0.78 CYP19A1 (0.30) CYP19A1
SCHEMBL9369640 0.77 CYP19A1 (0.32) CYP19A1MMP2ANPEP
SCHEMBL9026391 0.76 CYP19A1 (0.33) CYP19A1
SCHEMBL9220068 0.76 SIGMAR1 (0.33) CYP19A1MMP2ANPEP
SCHEMBL8833776 0.76 SIGMAR1 (0.33) CYP19A1MMP2ANPEP

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
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed