SCHEMBL23837375

SCHEMBL23837375

CC(=O)N[C@H]1Cc2cccc(C(=O)OCOC(C)=O)c2OB1N=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKCH P24723 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ PARP1 P09874 3/20 0.31

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
SCHEMBL23837304 0.90 TSHR (0.38) —
SCHEMBL17337218 0.87 MTNR1A (0.34) MTNR1AMTNR1BPRKCBPRKCAPRKCH
SCHEMBL17337216 0.87 MTNR1A (0.34) MTNR1AMTNR1BPRKCBPRKCAPRKCH
SCHEMBL23837344 0.81 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL23837435 0.79 TDP1 (0.35) —
SCHEMBL23837530 0.79 — —
SCHEMBL23837541 0.79 TSHR (0.34) —
SCHEMBL17337304 0.78 MEN1 (0.34) MTNR1AMTNR1B
SCHEMBL17337307 0.78 MEN1 (0.34) MTNR1AMTNR1B
SCHEMBL17337516 0.78 PRKCB (0.35) MTNR1AMTNR1BPRKCBPRKCAPRKCH

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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