SCHEMBL8446644

SCHEMBL8446644

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.70
MMP2 P08253 9/20 0.53
MMP3 P08254 6/20 0.53
MMP13 P45452 6/20 0.53
MMP1 P03956 5/20 0.53
MMP7 P09237 5/20 0.53
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
PLAU P00749 1/20 0.45
HPN P05981 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADAMTS4 O75173 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8450035 0.88 MMP9 (0.58) MMP9MMP2MMP3MMP13MMP1
SCHEMBL8449978 0.88 MMP9 (0.58) MMP9MMP2MMP3MMP13MMP1
SCHEMBL10211049 0.85 MMP13 (0.64) MMP9MMP2MMP3MMP13MMP1
SCHEMBL10208391 0.85 MMP13 (0.64) MMP9MMP2MMP3MMP13MMP1
SCHEMBL1656271 0.82 MMP9 (0.49) MMP9MMP2MMP3MMP13MMP1
SCHEMBL1659451 0.82 MMP2 (0.54) MMP9MMP2MMP3MMP13MMP1
SCHEMBL8446281 0.82 MMP9 (1.00) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7667739 0.82 MMP9 (0.59) MMP9MMP2MMP3MMP13MMP1
SCHEMBL7671437 0.82 MMP9 (0.59) MMP9MMP2MMP3MMP13MMP1
SCHEMBL14176097 0.81 MMP9 (0.47) MMP9MMP2MMP3MMP13MMP1

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