SCHEMBL7943806

SCHEMBL7943806

CC(NC(=O)OC(C)(C)C)Sc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.49
▸ CTSK P43235 6/20 0.49
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ MMP13 P45452 1/20 0.46
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PPARD Q03181 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
SCHEMBL7995586 0.83 CTSK (0.54) CTSSCTSKCTSLCTSBMMP13
SCHEMBL8910232 0.81 CTSS (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL9404277 0.81 CTSS (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7747398 0.81 CTSS (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7748907 0.80 PPARA (0.45) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7747410 0.80 PPARA (0.45) CTSSCTSKCTSLCTSBMMP13
SCHEMBL12126937 0.79 MMP13 (0.45) CTSSCTSKCTSLCTSBMMP13
SCHEMBL9404273 0.78 MTNR1A (0.64) CTSSCTSKCTSLCTSBMMP13
SCHEMBL30777023 0.78 PPARA (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL8910228 0.78 MTNR1A (0.64) CTSSCTSKCTSLCTSBMMP13

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-2001076694-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 — — WO disclosed
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