SCHEMBL9268807

SCHEMBL9268807

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
CYP19A1 P11511 1/20 0.31
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
SCHEMBL9268813 1.00 SIGMAR1 (0.32) SIGMAR1CYP19A1MMP2ANPEP
SCHEMBL9267019 0.87 CYP19A1 (0.31) SIGMAR1CYP19A1MMP2ANPEP
SCHEMBL9259623 0.87 CYP19A1 (0.31) SIGMAR1CYP19A1MMP2ANPEP
SCHEMBL9271500 0.87 CYP19A1 (0.31) SIGMAR1CYP19A1MMP2ANPEP
SCHEMBL9259629 0.87 CYP19A1 (0.31) SIGMAR1CYP19A1MMP2ANPEP
SCHEMBL9264358 0.87 CYP19A1 (0.31) SIGMAR1CYP19A1MMP2ANPEP
SCHEMBL7883453 0.87 SIGMAR1 (0.34) SIGMAR1CYP19A1MMP2ANPEP
SCHEMBL9567225 0.86 FAAH (0.31) CYP19A1
SCHEMBL9567221 0.86 FAAH (0.31) CYP19A1
SCHEMBL9279807 0.80 CYP19A1 (0.31) CYP19A1

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
WO-1995014692-A1 CABAPENEM DERIVATIVES AND PROCESSES FOR PREPARING THE SAME DONG-A PHARMACEUTICAL CO., LTD. (KR) 1995-06-01 WO disclosed