SCHEMBL7993523

SCHEMBL7993523

O=C(OCc1ccccc1)c1c(OCCS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.70
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DHODH Q02127 2/20 0.40
GAA P10253 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7990560 0.87 MMP3 (0.79) MMP3ALDH1A1MMP2MMP9NPC1
SCHEMBL7993470 0.83 MMP3 (0.47) MMP3MAPTALOX5ALDH1A1DHODH
SCHEMBL7398298 0.82 MMP3 (1.00) MMP3MMP2MMP9MEN1KMT2A
SCHEMBL7979043 0.74 MMP3 (0.65) MMP3MAPTALDH1A1MMP2MMP9
SCHEMBL7997188 0.73 MMP3 (0.40) MMP3MAPTTP53NPC1RAB9A
SCHEMBL7994042 0.72 L3MBTL1 (0.50) MMP3MAPTDHODHNPC1MEN1
SCHEMBL7990239 0.71 MMP3 (0.78) MMP3ALDH1A1GAAMMP2MMP9
SCHEMBL7389205 0.71 MMP3 (1.00) MMP3GAAMMP2MMP9
SCHEMBL7996699 0.70 MMP3 (0.76) MMP3MAPTALDH1A1MEN1KMT2A
SCHEMBL7392568 0.70 MMP3 (1.00) MMP3

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
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed