SCHEMBL16254362

SCHEMBL16254362

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ SCN9A Q15858 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA13 Q8N1Q1 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ CTSL P07711 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL23177850 1.00 L3MBTL1 (0.51) L3MBTL1HPGDCA12CA1CA2
SCHEMBL22461945 0.87 CHRND (0.47) CTSLCTSSCTSK
SCHEMBL18435392 0.86 L3MBTL1 (0.49) L3MBTL1HPGDCA12CA1CA2
SCHEMBL16254367 0.84 KMT2A (0.58) L3MBTL1POLBTSHRCYP3A4CYP2C9
SCHEMBL23154665 0.84 L3MBTL1 (0.65) L3MBTL1CTSLCTSSCTSKPOLB
SCHEMBL22175312 0.84 CYP3A4 (0.68) L3MBTL1CTSLCTSSCTSKTSHR
SCHEMBL23154816 0.84 L3MBTL1 (0.65) L3MBTL1CTSLCTSSCTSKPOLB
SCHEMBL23154817 0.84 L3MBTL1 (0.65) L3MBTL1CTSLCTSSCTSKPOLB
SCHEMBL13073495 0.84 KMT2A (0.58) L3MBTL1POLBTSHRCYP3A4CYP2C9
SCHEMBL24977926 0.83 CTSS (0.46) L3MBTL1CTSLCTSSCTSKPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060395-A1 SUSTAINED-RELEASE PHARMACEUTICAL COMPOSITION 持田製薬株式会社 2021-04-01 — — WO disclosed
WO-2021060351-A1 NSAID-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2021-04-01 — — WO disclosed
EP-2861581-B9 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-08-30 — — EP disclosed
EP-2861581-B1 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-02-01 — — EP disclosed
US-8889712-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 — — US disclosed
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