SCHEMBL20040346

SCHEMBL20040346

CC(OC(=O)c1ccc(N=C=O)cc1)C(=O)NCCCCC(NC(=O)C(C)OC(=O)c1ccc(N=C=O)cc1)C(=O)OC(C)C(=O)Oc1ccc(N=C=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.34
▸ FURIN P09958 5/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SIRT2 Q8IXJ6 3/20 0.32
▸ FOLH1 Q04609 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CTSK P43235 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
SCHEMBL11925982 0.84 TSHR (0.41) GAARAB9A
SCHEMBL20040344 0.82 MGLL (0.39) SIRT1MGLLKMT2AMEN1NPC1
SCHEMBL16270516 0.80 ELANE (0.43) KMT2AMEN1
SCHEMBL11921777 0.79 CTSL (0.39) GAARAB9A
SCHEMBL15259409 0.78 TRPA1 (0.35) KMT2AMEN1
SCHEMBL11921791 0.77 CTSL (0.34) —
SCHEMBL15006373 0.76 KMT2A (0.40) MGLLKMT2AMEN1GAANPC1
SCHEMBL20040345 0.71 KMT2A (0.38) KMT2AMEN1GAANPC1RAB9A
SCHEMBL20040348 0.70 KMT2A (0.34) KMT2AALB
SCHEMBL13611330 0.70 CYP4F2 (0.37) GAANPC1RAB9A

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-2673259-B1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-04-11 — — EP disclosed
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