SCHEMBL18797968

SCHEMBL18797968

CC(=O)CCC(=O)N[C@H]1Cc2cccc(C(O)OCOC(=O)c3ccccc3)c2OB1O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ATM Q13315 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
SCHEMBL23129938 0.95 SCN1A (0.31) KMT2AMEN1ATM
SCHEMBL23130214 0.91 MTNR1A (0.33) KMT2AMEN1ATM
SCHEMBL18797991 0.89 MEN1 (0.30) KMT2AMEN1ATM
SCHEMBL23129981 0.88 — —
SCHEMBL19662835 0.86 MTNR1A (0.31) —
SCHEMBL17337212 0.85 KMT2A (0.33) KMT2AMEN1ATM
SCHEMBL17337219 0.85 KMT2A (0.33) KMT2AMEN1ATM
SCHEMBL18797962 0.85 PRMT5 (0.32) KMT2A
SCHEMBL19228023 0.85 ALDH1A1 (0.30) —
SCHEMBL18797977 0.84 — —

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
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — US disclosed
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