SCHEMBL23109985

SCHEMBL23109985

CC[C@H](NC(C)O)C(=O)N(C)CC(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL17208358 0.75 MLYCD (0.41) CA12CA1CA2CA9MEN1
SCHEMBL23109987 0.73 MEN1 (0.34) CA12CA1CA2CA9MEN1
SCHEMBL27848104 0.72 KMT2A (0.36) CA12CA1CA2CA9MEN1
SCHEMBL23965315 0.72 KMT2A (0.36) CA12CA1CA2CA9MEN1
SCHEMBL12013740 0.70 MEN1 (0.32) MEN1KMT2A
SCHEMBL27950432 0.67 TP53 (0.39) MEN1KMT2AALDH1A1
SCHEMBL22215185 0.65 CA1 (0.34) CA1CA2
SCHEMBL4576097 0.65 CA1 (0.34) CA1CA2
SCHEMBL2909351 0.64 MGAM (0.46) CA12CA1CA2CA9MEN1
SCHEMBL27488643 0.64 TSHR (0.43) CA12CA1CA2CA9MEN1

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
WO-2021049633-A1 DRUG FOR CURATIVE THERAPY OF INTRACTABLE HEREDITARY RENAL ALPORT SYNDROME 国立大学法人熊本大学 2021-03-18 — — WO disclosed
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