SCHEMBL23129662

SCHEMBL23129662

COC(=O)c1cccc2c1OB(O)C(NC(=O)CCNS(C)(=O)=O)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TRPA1 O75762 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ MAPK10 P53779 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
SCHEMBL17347818 1.00 KMT2A (0.32) KMT2AHTTUSP2TSHRALDH1A1
SCHEMBL17337334 0.92 TSHR (0.37) KMT2AUSP2TSHRALDH1A1KDM4E
SCHEMBL17337192 0.92 TSHR (0.37) KMT2AUSP2TSHRALDH1A1KDM4E
SCHEMBL17337133 0.90 RAB9A (0.35) KMT2AHTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL17337541 0.90 RAB9A (0.35) KMT2AHTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL19228054 0.89 KDM4E (0.31) TSHRKDM4E
SCHEMBL23129992 0.89 TSHR (0.38) TSHRALDH1A1TRPA1KDM4ESMN1; SMN2
SCHEMBL17337419 0.89 TSHR (0.38) TSHRALDH1A1TRPA1KDM4ESMN1; SMN2
SCHEMBL23129931 0.88 PRKCB (0.32) —
SCHEMBL17337239 0.88 PRKCB (0.32) —

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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