SCHEMBL7307186

SCHEMBL7307186

CC(C)(c1ccccc1)[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.53
CTSL P07711 8/20 0.53
CTSB P07858 6/20 0.53
CTSK P43235 7/20 0.51
TACR1 P25103 1/20 0.51
SYK P43405 1/20 0.51
CTRB1 P17538 2/20 0.50
ATM Q13315 2/20 0.50

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
SCHEMBL7308646 0.88 CTSS (0.53) CTSSCTSLCTSBCTSKTACR1
SCHEMBL478316 0.87 SYK (0.54) CTSSCTSLCTSBCTSKSYK
SCHEMBL738204 0.87 SYK (0.54) CTSSCTSLCTSBCTSKSYK
SCHEMBL9800760 0.86 SYK (0.53) CTSSCTSLCTSBCTSKSYK
SCHEMBL10257423 0.85 CTSD (0.53) CTSSCTSLCTSBCTSKSYK
SCHEMBL12195056 0.85 CTSD (0.53) CTSSCTSLCTSBCTSKSYK
SCHEMBL12493693 0.84 CTRB1 (0.55) CTSSCTSLCTSBCTSKSYK
SCHEMBL7333862 0.84 CTRB1 (0.55) CTSSCTSLCTSBCTSKSYK
SCHEMBL15889351 0.84 SYK (0.52) CTSSCTSLCTSBCTSKSYK
SCHEMBL25272324 0.83 SYK (0.54) CTSSCTSLCTSBCTSKSYK

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
EP-0575844-B1 Hydroxamic acid derivatives and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 1998-01-21 EP disclosed
EP-0575844-A2 Hydroxamic acid derivatives and pharmaceutical compositions thereof F. HOFFMANN-LA ROCHE AG (CH) 1993-12-29 EP disclosed