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Sugi Predict / Compounds / Sulfurous Acid

Sulfurous Acid

Sulfurous Acid

SCHEMBL7313834

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C(C)C.O=S(O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.53
▸ CMA1 P23946 5/20 0.52
▸ CAPN1 P07384 2/20 0.50
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ PREP P48147 2/20 0.49
▸ CCR1 P32246 1/20 0.49

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
SCHEMBL13036084 0.97 ELANE (0.55) ELANECMA1CAPN1CTSLCTSB
SCHEMBL7276583 0.97 ELANE (0.55) ELANECMA1CAPN1CTSLCTSB
SCHEMBL7293993 0.97 ELANE (0.55) ELANECMA1CAPN1CTSLCTSB
SCHEMBL13982069 0.97 ELANE (0.55) ELANECMA1CAPN1CTSLCTSB
SCHEMBL7323599 0.91 ELANE (0.51) ELANECMA1CAPN1CTSLCTSB
SCHEMBL7313928 0.89 CMA1 (0.55) ELANECMA1
SCHEMBL7317148 0.86 MALT1 (0.61) ELANECMA1CTSLCTSBPREP
SCHEMBL7324440 0.85 MALT1 (0.59) ELANECMA1
SCHEMBL17425092 0.84 CMA1 (0.56) ELANECMA1CAPN1CTSLCTSB
SCHEMBL7320470 0.84 CMA1 (0.51) ELANECMA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 — — US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 — — US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 — — EP disclosed