SCHEMBL5898944

SCHEMBL5898944

COc1ccc(S(=O)(=O)N2CCC(Oc3ccccc3)CC2)c(C(=O)NO)c1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.54
MMP13 P45452 8/20 0.54
KMT2A Q03164 1/20 0.48
ACLY P53396 1/20 0.48
USP5 P45974 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2C P28335 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6572436 0.94 MMP2 (0.53) MMP2MMP13KMT2AACLYUSP5
SCHEMBL8363785 0.92 MMP2 (0.51) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5898959 0.91 MMP2 (0.48) MMP2MMP13KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8361646 0.91 MMP2 (0.51) MMP2MMP13KMT2AACLYSMN1; SMN2
SCHEMBL8361708 0.90 MMP2 (0.52) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5898961 0.90 MMP2 (0.52) MMP2MMP13KMT2AACLYSMN1; SMN2
SCHEMBL7431658 0.88 ACLY (0.49) MMP2MMP13KMT2AACLYUSP5
SCHEMBL5898986 0.88 MMP13 (0.69) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL8361679 0.88 MMP13 (0.64) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5898980 0.87 MMP13 (0.49) MMP2MMP13KMT2ASMN1; SMN2MAPT

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
US-7115632-B1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds G. D. SEARLE & CO. (US) 2006-10-03 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed