SCHEMBL15095217

SCHEMBL15095217

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ APP P05067 1/20 0.44
▸ CTSD P07339 2/20 0.43
▸ KLK5 Q9Y337 1/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ BACE1 P56817 2/20 0.42

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
SCHEMBL8535555 0.94 ATM (0.50) ATMKMT2AMEN1CYP3A4APP
SCHEMBL15095218 0.86 NPC1 (0.43) CYP3A4
SCHEMBL29648792 0.79 KMT2A (0.49) ATMKMT2AMEN1APPKLK5
SCHEMBL8535259 0.77 KLK5 (0.42) ATMKMT2AMEN1APPCTSD
SCHEMBL29602242 0.74 KMT2A (0.67) ATMKMT2AMEN1APPKLK5
SCHEMBL8130179 0.74 KMT2A (0.67) ATMKMT2AMEN1APPKLK5
SCHEMBL6447422 0.73 ATM (0.56) ATMKMT2AMEN1APPKLK5
SCHEMBL8542012 0.73 CYP3A4 (0.59) ATMKMT2AMEN1CYP3A4APP
SCHEMBL29484184 0.73 KMT2A (0.66) ATMKMT2AMEN1APPCTSD
SCHEMBL8531207 0.73 KLK5 (0.61) CTSDKLK5PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481571-B2 Anti-coronavirus compounds ACADEMIA SINICA (TW) 2013-07-09 — — US disclosed
US-8481571-B2 Anti-coronavirus compounds ACADEMIA SINICA (TW) 2013-07-09 — — US disclosed
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