SCHEMBL23837541

SCHEMBL23837541

CCOC(=O)c1cccc2c1OB(N=O)[C@@H](NC(=O)CCCC(C)=O)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 4/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ USP2 O75604 1/20 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
SCHEMBL17337390 0.89 TSHR (0.35) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL17337392 0.89 TSHR (0.35) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL23837337 0.89 AAK1 (0.33) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL23837304 0.88 TSHR (0.38) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL23837326 0.87 TSHR (0.33) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL23837335 0.86 CA1 (0.33) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL23837341 0.86 TSHR (0.32) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL23837436 0.86 TSHR (0.35) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL17337325 0.83 TSHR (0.36) TSHRL3MBTL1NPSR1CNR2CDC25B
SCHEMBL17337323 0.83 TSHR (0.36) TSHRL3MBTL1NPSR1CNR2CDC25B

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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