SCHEMBL8451620

SCHEMBL8451620

Cc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.51
MMP13 P45452 6/20 0.51
MMP3 P08254 2/20 0.51
MMP9 P14780 7/20 0.48
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MMP8 P22894 1/20 0.37
ADAMTS4 O75173 1/20 0.37
CTSL P07711 1/20 0.37
PSMB8 P28062 1/20 0.37

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
SCHEMBL9088931 0.84 MMP9 (0.44) MMP2MMP13MMP3MMP9ALDH1A1
SCHEMBL9088936 0.84 MMP9 (0.44) MMP2MMP13MMP3MMP9ALDH1A1
SCHEMBL8448550 0.82 MMP2 (0.49) MMP2MMP13MMP3MMP9ALDH1A1
SCHEMBL8445714 0.82 MMP2 (0.64) MMP2MMP13MMP3MMP9ALDH1A1
SCHEMBL7674853 0.81 SMN1; SMN2 (0.42) MMP2MMP13MMP9ALDH1A1TSHR
SCHEMBL8450035 0.81 MMP9 (0.58) MMP2MMP13MMP3MMP9ALDH1A1
SCHEMBL8449978 0.81 MMP9 (0.58) MMP2MMP13MMP3MMP9ALDH1A1
SCHEMBL8446644 0.79 MMP9 (0.70) MMP2MMP13MMP3MMP9ALDH1A1
SCHEMBL19944858 0.79 PSMB8 (0.46) MMP2MMP13MMP9ALDH1A1TSHR
SCHEMBL30988973 0.77 TDP1 (0.48) MMP2MMP13MMP3MMP9ALDH1A1

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
EP-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP disclosed