SCHEMBL27582496

SCHEMBL27582496

NC(=O)NS(=O)(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ USP30 Q70CQ3 1/20 0.52
▸ USP5 P45974 9/20 0.48
▸ MMP3 P08254 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ BCL2A1 Q16548 1/20 0.46
▸ HSD11B1 P28845 2/20 0.45
▸ NPY5R Q15761 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4960132 0.78 USP30 (0.57) MMP2MMP13USP30USP5MMP3
SCHEMBL4960919 0.77 CA12 (0.54) MMP2MMP13USP30USP5MMP3
SCHEMBL4964431 0.76 MMP2 (0.54) MMP2MMP13USP30USP5MMP3
SCHEMBL31527727 0.76 CA12 (0.56) MMP2MMP13USP30USP5MMP3
SCHEMBL27640069 0.75 CA12 (0.49) MMP2MMP13CA12CA1CA2
SCHEMBL7569013 0.74 NLRP3 (0.47) —
SCHEMBL26213661 0.74 HSD11B1 (0.52) MMP2MMP13USP30USP5MMP3
SCHEMBL5490962 0.73 KCNH2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9320214 0.73 NPY5R (0.58) MMP2MMP13USP30USP5HDAC6
SCHEMBL21033833 0.73 HSD11B1 (0.51) MMP2MMP13USP30USP5MMP3

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
CN-1370526-A Treating method of nuclear factor-KB mediated diseases and dysfuction WANER LONGBER CO (US) 2002-09-25 — — CN claimed
CN-1370526-A Treating method of nuclear factor-KB mediated diseases and dysfuction WANER LONGBER CO (US) 2002-09-25 — — CN disclosed
Send feedback