SCHEMBL30669255

SCHEMBL30669255

CC(C)(C)OC(=O)N[C@H](CO)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.48
▸ CTSS P25774 4/20 0.48
▸ PTGES O14684 1/20 0.48
▸ RIPK1 Q13546 1/20 0.45
▸ CTSB P07858 2/20 0.42
▸ ACACB O00763 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ATM Q13315 1/20 0.40

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
SCHEMBL4542412 1.00 CTSK (0.48) CTSKCTSSPTGESRIPK1CTSB
SCHEMBL4542411 1.00 CTSK (0.48) CTSKCTSSPTGESRIPK1CTSB
SCHEMBL4839064 0.87 CTSS (0.49) CTSKCTSSRIPK1CTSBCTSL
SCHEMBL4839068 0.87 CTSS (0.49) CTSKCTSSRIPK1CTSBCTSL
SCHEMBL127326 0.85 RIPK1 (0.60) CTSKCTSSRIPK1CTSBCTSL
SCHEMBL3349953 0.85 RIPK1 (0.60) CTSKCTSSRIPK1CTSBCTSL
SCHEMBL2481921 0.85 RIPK1 (0.60) CTSKCTSSRIPK1CTSBCTSL
SCHEMBL5020954 0.84 CTSK (0.52) CTSKCTSSRIPK1CTSBCTSL
SCHEMBL5021539 0.84 CTSK (0.52) CTSKCTSSRIPK1CTSBCTSL
SCHEMBL4537641 0.82 RIPK1 (0.43) PTGESRIPK1ACACB

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-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 — — US disclosed
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