SCHEMBL23058748

SCHEMBL23058748

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
PSEN1 P49768 6/20 0.48
PSEN2 P49810 6/20 0.48
APH1B Q8WW43 6/20 0.48
NCSTN Q92542 6/20 0.48
APH1A Q96BI3 6/20 0.48
PSENEN Q9NZ42 6/20 0.48
KLK5 Q9Y337 2/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
CTSD P07339 2/20 0.45
ACE P12821 1/20 0.44
AKT1 P31749 2/20 0.44

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
SCHEMBL23039957 1.00 SYK (0.50) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL15812057 1.00 SYK (0.50) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL12606644 1.00 SYK (0.50) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL23040048 0.92 CTSK (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23059057 0.92 CTSK (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23040049 0.92 CTSK (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23042932 0.91 PPARA (0.49) SYKCTSSCTSKCTSLCTSB
SCHEMBL23646147 0.90 KLK5 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23646118 0.90 KLK5 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23646120 0.90 KLK5 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 WO disclosed