SCHEMBL23129720

SCHEMBL23129720

COc1ccc2c(c1C(=O)OCOC(=O)C(C)(C)C)OB(O)C(NC(C)=O)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.33
▸ MTNR1B P49286 4/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMPD3 Q9NY59 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
SCHEMBL17347775 1.00 MTNR1A (0.33) MTNR1AMTNR1BL3MBTL1SMPD3
SCHEMBL23837502 0.92 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL17347815 0.91 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1
SCHEMBL23130020 0.91 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1
SCHEMBL23130067 0.89 MTNR1B (0.38) MTNR1AMTNR1BL3MBTL1
SCHEMBL23837538 0.89 — —
SCHEMBL17347756 0.89 MTNR1B (0.38) MTNR1AMTNR1BL3MBTL1
SCHEMBL17347779 0.89 PRKCB (0.33) —
SCHEMBL19663626 0.89 HTR7 (0.30) —
SCHEMBL23129927 0.89 PRKCB (0.33) —

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-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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