SCHEMBL23129663

SCHEMBL23129663

CCOC(=O)c1cccc2c1OB(O)C(NC(=O)CCS(=O)(=O)NC)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CDC25B P30305 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL17347664 1.00 TSHR (0.33) TSHRTDP1KMT2AL3MBTL1NPSR1
SCHEMBL23837332 0.92 — —
SCHEMBL23130157 0.91 — —
SCHEMBL23130160 0.90 — —
SCHEMBL17337181 0.90 CA1 (0.34) TSHRTDP1KMT2AL3MBTL1NPSR1
SCHEMBL23130154 0.90 CA1 (0.34) TSHRTDP1KMT2AL3MBTL1NPSR1
SCHEMBL17347760 0.89 PRKCB (0.32) —
SCHEMBL23129660 0.89 PRKCB (0.32) —
SCHEMBL23837341 0.89 TSHR (0.32) TSHRTDP1KMT2AL3MBTL1NPSR1
SCHEMBL17336987 0.88 ACLY (0.31) POLB

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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