SCHEMBL28041171

SCHEMBL28041171

C[C@@H](O)OS(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
HPGD P15428 2/20 0.50
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
FAAH O00519 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.43
FPR1 P21462 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL7630233 0.86 KMT2A (0.49) KMT2AHPGDCA1CA2MMP1
SCHEMBL4936620 0.85 KMT2A (0.55) KMT2AHPGDCA1CA2MMP1
SCHEMBL28357823 0.83 KMT2A (0.53) KMT2AHPGDCA1CA2MMP1
SCHEMBL10434708 0.82 KMT2A (0.49) KMT2AHPGDCA1CA2MMP1
SCHEMBL9040129 0.81 KMT2A (0.52) KMT2AHPGDCA1CA2MMP1
SCHEMBL10950994 0.80 KMT2A (0.50) KMT2AHPGDCA1CA2MMP1
SCHEMBL6916227 0.80 KMT2A (0.50) KMT2AHPGDCA1CA2MMP1
SCHEMBL10711028 0.80 KMT2A (0.46) KMT2AHPGDALDH1A1FPR1HSD17B10
SCHEMBL28505067 0.78 KMT2A (0.51) KMT2AHPGDCA1CA2MMP1
SCHEMBL6233929 0.77 KMT2A (0.47) KMT2AHPGDCA1CA2MMP1

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
CN-105087697-A Method for roducing (S)-ethoxyl phenyl methanesulfonate by use of cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN claimed
CN-105087697-A Method for roducing (S)-ethoxyl phenyl methanesulfonate by use of cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN disclosed