SCHEMBL7394166

SCHEMBL7394166

COc1ccc(C(=O)Nc2ccc(S(=O)(=O)CC(O)(CCN3C(=O)N(C)C(C)(C)C3=O)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 1/20 0.44
NPC1 O15118 4/20 0.42
TP53 P04637 3/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STAT3 P40763 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7394484 0.90 MAPT (0.44) KMT2ARAB9AHSD17B10MAPTMEN1
SCHEMBL7392654 0.90 MEN1 (0.42) KMT2ARAB9AMAPTMEN1NPC1
SCHEMBL7388874 0.82 MAPT (0.44) KMT2ARAB9AHSD17B10MAPTMEN1
SCHEMBL7210792 0.76 MMP1 (0.43) MMP2MMP9MMP3MMP13
SCHEMBL7397231 0.76 NPC1 (0.53) ALDH1A1KMT2ARAB9AGAAHSD17B10
SCHEMBL7493288 0.74 RAB9A (0.51) ALDH1A1KMT2ARAB9AGAAHSD17B10
SCHEMBL7210495 0.72 MMP2 (0.45) MMP2MMP9MMP3MMP13
SCHEMBL7210389 0.71 ALDH1A1 (0.57) ALDH1A1KMT2ARAB9AHSD17B10MAPT
SCHEMBL7393387 0.70 MAPT (0.42) ALDH1A1KMT2ARAB9AGAAMAPT
SCHEMBL7210567 0.69 MMP2 (0.55) MMP2MMP9MMP3MMP13

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
WO-2002006215-A1 3-ARYLSULFONYL-2-HYDROXY-2-METHYLPROPANOIC ACID DERIVATES PHARMACIA ITALIA S.P.A. (IT) 2002-01-24 WO claimed
WO-2002006215-A1 3-ARYLSULFONYL-2-HYDROXY-2-METHYLPROPANOIC ACID DERIVATES PHARMACIA ITALIA S.P.A. (IT) 2002-01-24 WO disclosed