SCHEMBL10658422

SCHEMBL10658422

CC(C)C[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.41
▸ CTSK P43235 15/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ CAPN2 P17655 1/20 0.39
▸ CTSL P07711 7/20 0.39
▸ CTSS P25774 6/20 0.39
▸ CTSB P07858 2/20 0.39

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
SCHEMBL10658398 1.00 TYR (0.41) TYRCTSKCAPN1CAPN2CTSL
SCHEMBL27718876 0.92 CTSK (0.47) TYRCTSKCAPN1CAPN2CTSL
SCHEMBL30460474 0.92 CTSK (0.47) TYRCTSKCAPN1CAPN2CTSL
SCHEMBL2234378 0.92 CTSK (0.47) TYRCTSKCAPN1CAPN2CTSL
SCHEMBL22804081 0.92 CTSK (0.47) TYRCTSKCAPN1CAPN2CTSL
SCHEMBL31005798 0.92 CTSK (0.47) TYRCTSKCAPN1CAPN2CTSL
SCHEMBL10663809 0.88 TYR (0.45) TYRCTSLCTSB
SCHEMBL10663791 0.88 TYR (0.45) TYRCTSLCTSB
SCHEMBL10658416 0.86 CTSK (0.39) TYRCTSKCTSLCTSSCTSB
SCHEMBL10630925 0.85 CAPN1 (0.47) CTSKCAPN1CAPN2CTSLCTSS

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-4789587-A (1,3-dioxolan-2-yl-methyl)-1H-imidazoles as bactericidal and/or fungicidal agents IRE-CELLTARG, S.A. (BE) 1988-12-06 — — US disclosed
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