SCHEMBL3628247

SCHEMBL3628247

O=S(=O)(Cc1ccccc1)NCCI

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
ELANE P08246 1/20 0.47
PRTN3 P24158 1/20 0.47
PRSS3 P35030 1/20 0.47
CA5A P35218 1/20 0.47

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
SCHEMBL603913 0.86 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL4601440 0.82 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL9235312 0.80 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL15415466 0.80 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL603914 0.80 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL634317 0.80 ALDH1A1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL819258 0.80 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL3155678 0.79 ALDH1A1 (0.53) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL11655904 0.78 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL6261913 0.77 CA1 (0.58) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP claimed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP claimed
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed