SCHEMBL23837436

SCHEMBL23837436

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RECQL P46063 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ USP2 O75604 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CDC25B P30305 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
SCHEMBL17337334 0.89 TSHR (0.37) TSHRHSD17B10KDM4EHPGDALDH1A1
SCHEMBL17337192 0.89 TSHR (0.37) TSHRHSD17B10KDM4EHPGDALDH1A1
SCHEMBL23837335 0.87 CA1 (0.33) TSHRHSD17B10ALDH1A1KMT2ATDP1
SCHEMBL23837341 0.86 TSHR (0.32) TSHRKMT2ATDP1L3MBTL1NPSR1
SCHEMBL23837541 0.86 TSHR (0.34) TSHRHSD17B10KDM4EALDH1A1TDP1
SCHEMBL23837337 0.85 AAK1 (0.33) TSHRHSD17B10ALDH1A1KMT2ATDP1
SCHEMBL23837326 0.84 TSHR (0.33) TSHRHSD17B10KDM4EHPGDALDH1A1
SCHEMBL23837304 0.83 TSHR (0.38) TSHRHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL19228054 0.82 KDM4E (0.31) TSHRHSD17B10KDM4E
SCHEMBL23129992 0.80 TSHR (0.38) TSHRHSD17B10KDM4EALDH1A1MAPK1

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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