SCHEMBL11233004

SCHEMBL11233004

CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CCO)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.62
MMP9 P14780 4/20 0.62
MMP1 P03956 2/20 0.62
MMP8 P22894 2/20 0.62
MMP3 P08254 1/20 0.62
MMP7 P09237 1/20 0.62
MMP14 P50281 1/20 0.62
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
POLB P06746 3/20 0.61
MAPT P10636 1/20 0.61
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 3/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
PLA2G7 Q13093 1/20 0.53
NR3C1 P04150 1/20 0.52

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
SCHEMBL5711952 0.91 ALDH1A1 (0.73) MMP2MMP9MMP1MMP8KMT2A
SCHEMBL10536063 0.83 PKM (0.70) MMP2MMP9MMP1MMP8MMP3
SCHEMBL9815431 0.83 PKM (0.70) MMP2MMP9MMP1MMP8MMP3
SCHEMBL9518669 0.82 ALDH1A1 (0.57) MMP2MMP9MMP1MMP8KMT2A
SCHEMBL11239362 0.81 MMP2 (0.60) MMP2MMP9MMP1MMP8MMP3
SCHEMBL6516221 0.80 KMT2A (0.73) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL31500692 0.80 MMP2 (0.59) MMP2MMP9MMP1MMP8MMP3
SCHEMBL12717525 0.80 MMP2 (0.74) MMP2MMP9MMP1MMP8MMP3
SCHEMBL11238167 0.79 CA2 (0.56) KMT2AALDH1A1POLBMAPTKDM4E
SCHEMBL9472886 0.79 CA2 (0.65) KMT2AALDH1A1POLBMAPTKDM4E

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-4346046-A FROM AMINOARYL-B-HYDROXYETHYLSULFONE AND SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-24 US disclosed