SCHEMBL7867073

SCHEMBL7867073

Cc1ccc(C#Cc2ccc(S(=O)(=O)CC(C)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MMP9 P14780 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ACACB O00763 2/20 0.40
MMP13 P45452 4/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 2/20 0.39
FFAR1 O14842 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL7862162 0.81 MMP9 (0.56) ALDH1A1KMT2AMEN1MMP9CA12
SCHEMBL7874054 0.81 LMNA (0.43) ALDH1A1KMT2AMMP9CA2CA9
SCHEMBL7870896 0.78 MMP2 (0.53) ALDH1A1KMT2AMEN1MMP9CA12
SCHEMBL8450035 0.78 MMP9 (0.58) ALDH1A1MMP9CA12CA1CA2
SCHEMBL8449978 0.78 MMP9 (0.58) ALDH1A1MMP9CA12CA1CA2
SCHEMBL7868885 0.77 KMT2A (0.57) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL8446644 0.76 MMP9 (0.70) ALDH1A1MMP9CA1CA2MMP13
SCHEMBL8445750 0.76 MMP9 (0.42) ALDH1A1KMT2AMEN1MMP9CA12
SCHEMBL7867068 0.75 CXCR2 (0.43) MMP9MMP13MMP2
SCHEMBL7599281 0.74 KMT2A (0.42) ALDH1A1KMT2AMEN1MMP13MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed