SCHEMBL8746194

SCHEMBL8746194

O=S(=O)(Cc1ccccc1)OCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CA9 Q16790 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
FAAH O00519 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
CA5A P35218 1/20 0.45
HTT P42858 1/20 0.42
F2 P00734 2/20 0.42
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4049879 0.90 KMT2A (0.47) KMT2ACA1CA2MMP1MMP2
SCHEMBL8746110 0.89 KMT2A (0.50) KMT2ACA1CA2MMP1MMP2
SCHEMBL9309031 0.88 KMT2A (0.61) KMT2ACA1CA2MMP1MMP2
SCHEMBL8746236 0.87 KMT2A (0.49) KMT2ACA1CA2MMP1MMP2
SCHEMBL71841 0.85 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL7619550 0.84 KMT2A (0.57) KMT2ACA1CA2MMP1MMP2
SCHEMBL6912270 0.82 CA1 (0.63) KMT2ACA1CA2MMP1MMP2
SCHEMBL2383968 0.81 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL2762566 0.81 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL29482067 0.81 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2

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-0602254-B1 POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KK (JP) 1997-01-02 EP disclosed
US-5476913-A Bactericides OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-12-19 US disclosed
EP-0602254-A1 POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-06-22 EP disclosed