SCHEMBL7870930

SCHEMBL7870930

O=C(CCS(=O)(=O)c1ccc(O)cc1)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.53
MMP1 P03956 2/20 0.52
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.48
HSD11B1 P28845 1/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 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
SCHEMBL22362035 0.91 KMT2A (0.67) KMT2ALMNAMMP1NPSR1HTT
SCHEMBL7867084 0.87 KMT2A (0.62) KMT2ALMNAMMP1HSD11B1TSHR
SCHEMBL7869926 0.87 KMT2A (0.86) KMT2ALMNAMMP1NPSR1HTT
SCHEMBL7862148 0.87 KMT2A (0.62) KMT2ALMNAMMP1NPSR1HTT
SCHEMBL7862220 0.85 KMT2A (0.69) KMT2ALMNAMMP1NPSR1HTT
SCHEMBL28347641 0.78 KMT2A (0.50) KMT2ALMNAMMP1HTTMAPT
SCHEMBL7870815 0.77 HTT (0.64) KMT2ALMNAMMP1NPSR1HTT
SCHEMBL30593894 0.76 KMT2A (0.59) KMT2ALMNAHTTMAPTALDH1A1
SCHEMBL27587646 0.75 TRPV1 (0.54) KMT2APRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL43742 0.74 KMT2A (0.61) KMT2ALMNAHTTMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed