SCHEMBL24977926

SCHEMBL24977926

CN[C@@H](Cc1ccccc1)C(=O)NCCOC(C)(C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.46
▸ CTSL P07711 5/20 0.46
▸ CTSK P43235 4/20 0.46
▸ CTSB P07858 3/20 0.46
▸ AKT1 P31749 1/20 0.45
▸ TACR2 P21452 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ LAP3 P28838 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ RNPEP Q9H4A4 1/20 0.41
▸ DNPEP Q9ULA0 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL24977548 0.83 TSHR (0.41) CTSSCTSLCTSKCTSBAKT1
SCHEMBL16254362 0.83 L3MBTL1 (0.51) CTSSCTSLCTSKL3MBTL1CYP3A4
SCHEMBL23177850 0.83 L3MBTL1 (0.51) CTSSCTSLCTSKL3MBTL1CYP3A4
SCHEMBL23177690 0.79 CTSS (0.46) CTSSCTSLCTSKCTSBAKT1
SCHEMBL23154816 0.78 L3MBTL1 (0.65) CTSSCTSLCTSKCTSBL3MBTL1
SCHEMBL22175312 0.78 CYP3A4 (0.68) CTSSCTSLCTSKCTSBL3MBTL1
SCHEMBL16254367 0.78 KMT2A (0.58) L3MBTL1CYP3A4TSHRKMT2APOLB
SCHEMBL23154665 0.78 L3MBTL1 (0.65) CTSSCTSLCTSKCTSBL3MBTL1
SCHEMBL23154817 0.78 L3MBTL1 (0.65) CTSSCTSLCTSKCTSBL3MBTL1
SCHEMBL13073495 0.78 KMT2A (0.58) L3MBTL1CYP3A4TSHRKMT2APOLB

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-20230035986-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-02-02 — — US disclosed
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