SCHEMBL30669226

SCHEMBL30669226

CC(C)(C)OC(=O)N[C@@H](c1cccc(C#Cc2ccccc2)c1)[C@@H](O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.46
▸ CTSS P25774 4/20 0.46
▸ PTGES O14684 1/20 0.45
▸ GABRB1 P18505 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ CTSB P07858 2/20 0.40
▸ CTSL P07711 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL13584207 1.00 CTSK (0.46) CTSKCTSSPTGESGABRB1GABRB2
SCHEMBL13584210 1.00 CTSK (0.46) CTSKCTSSPTGESGABRB1GABRB2
SCHEMBL13584205 1.00 CTSK (0.46) CTSKCTSSPTGESGABRB1GABRB2
SCHEMBL13232075 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2CTSB
SCHEMBL30695638 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2CTSB
SCHEMBL13211537 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2CTSB
SCHEMBL13584844 0.82 PTPN11 (0.43) PTGESLMNA
SCHEMBL13584847 0.82 PTPN11 (0.43) PTGESLMNA
SCHEMBL13584754 0.81 CTSK (0.46) CTSKCTSSPTGESGABRB1GABRB2
SCHEMBL4542411 0.81 CTSK (0.48) CTSKCTSSPTGESGABRB1GABRB2

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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