SCHEMBL6770822

SCHEMBL6770822

O=C(O)C1(NS(=O)(=O)c2ccc3c4c(oc3c2)CCCCCC4)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ PLG P00747 5/20 0.48
▸ PLAU P00749 5/20 0.48
▸ PLAT P00750 1/20 0.47
▸ HTR6 P50406 6/20 0.42
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MMP1 P03956 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ADAM17 P78536 1/20 0.36

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
SCHEMBL6771732 1.00 SMN1; SMN2 (0.54) SMN1; SMN2USP2HTTPLGPLAU
SCHEMBL6771728 0.99 SMN1; SMN2 (0.52) SMN1; SMN2USP2HTTPLGPLAU
Hydroxyamine SCHEMBL7552923 0.98 SMN1; SMN2 (0.52) SMN1; SMN2USP2HTTPLGPLAU
SCHEMBL6768081 0.97 SMN1; SMN2 (0.52) SMN1; SMN2USP2HTTPLGPLAU
SCHEMBL6777349 0.90 MMP1 (0.51) SMN1; SMN2USP2HTTMMP1MMP13
SCHEMBL6767794 0.90 MMP1 (0.51) SMN1; SMN2USP2HTTMMP1MMP13
SCHEMBL6771228 0.89 MMP1 (0.50) MMP1MMP13ADAM17
SCHEMBL6778949 0.88 MMP1 (0.49) MMP1MMP13ADAM17
SCHEMBL6772598 0.83 HTT (0.55) SMN1; SMN2USP2HTTPLGPLAU
Hydroxyamine SCHEMBL7578513 0.81 HTT (0.53) SMN1; SMN2USP2HTTPLGPLAU

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
EP-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 — — EP claimed
EP-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 — — EP disclosed
US-6677355-B1 DIBENZOFURAN-3-(SULFONYLAMINO OR SULFINAMINO) DERIVATIVES; MULTIPLE SCLEROSIS, ATHEROSCLEROSIS, HEART FAILURE, PERIODONTAL DISEASE, OSTEOARTHRITIS, AUTOIMMUNE DISEASE; ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2004-01-13 — — US disclosed
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