SCHEMBL8404582

SCHEMBL8404582

COc1ccc(S(=O)(=O)N(CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)CC(C(=O)NO)c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.41
MMP1 P03956 4/20 0.41
MMP13 P45452 4/20 0.41
BMP1 P13497 2/20 0.40
MMP2 P08253 4/20 0.40
MMP7 P09237 1/20 0.40
MMP12 P39900 1/20 0.40
KMT2A Q03164 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
MMP3 P08254 3/20 0.38
MMP8 P22894 2/20 0.38
KCNH2 Q12809 3/20 0.37
TGFBR1 P36897 1/20 0.37
MAPT P10636 1/20 0.37
TAS2R14 Q9NYV8 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
SCHEMBL8400808 0.87 BMP1 (0.44) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8404845 0.85 MMP3 (0.44) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8003619 0.84 BMP1 (0.49) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8403426 0.82 TSHR (0.48) MMP1BMP1KMT2AMMP8
SCHEMBL8658468 0.81 BMP1 (0.48) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8004745 0.81 MMP9 (0.51) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8014648 0.81 MMP9 (0.51) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8403382 0.80 MMP9 (0.45) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8012934 0.80 BMP1 (0.51) MMP9MMP1MMP13BMP1MMP2
SCHEMBL8015780 0.80 MMP9 (0.51) MMP9MMP1MMP13BMP1MMP2

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
EP-0922030-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-06-16 EP disclosed
WO-1998007697-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-02-26 WO disclosed