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Sugi Predict / Compounds / SCHEMBL10663791

SCHEMBL10663791

SCHEMBL10663791

O=C(NC(Cc1ccccc1)C(=O)O)OCc1cccc2c1Cc1ccccc1-2.O=C1CCC(=O)N1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.45
▸ ACE P12821 1/20 0.43
▸ ITGB3 P05106 8/20 0.43
▸ ITGA2B P08514 8/20 0.43
▸ CASP1 P29466 1/20 0.41
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 1/20 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
SCHEMBL10663809 1.00 TYR (0.45) TYRACEITGB3ITGA2BCASP1
SCHEMBL8579351 0.92 TYR (0.49) TYRACEITGB3ITGA2BCTSL
SCHEMBL22804041 0.92 TYR (0.49) TYRACEITGB3ITGA2BCTSL
SCHEMBL8579349 0.92 TYR (0.49) TYRACEITGB3ITGA2BCTSL
SCHEMBL30758311 0.92 TYR (0.49) TYRACEITGB3ITGA2BCTSL
Water SCHEMBL15361979 0.91 TYR (0.48) TYRACEITGB3ITGA2BCTSL
SCHEMBL10658398 0.88 TYR (0.41) TYRCTSLCTSB
SCHEMBL10658422 0.88 TYR (0.41) TYRCTSLCTSB
SCHEMBL28924858 0.88 ACE (0.52) TYRACECTSLCTSB
SCHEMBL21596246 0.88 ECE1 (0.46) TYRACEITGB3ITGA2BCTSL

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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