SCHEMBL9293151

SCHEMBL9293151

CC(O)OCCOc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
CA7 P43166 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
KCNH2 Q12809 1/20 0.39
MMP3 P08254 3/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9292840 0.87 MMP2 (0.41) CA12CA1CA2CA9TSHR
SCHEMBL9292958 0.86 CA1 (0.41) CA12CA1CA2CA9CA7
SCHEMBL4614655 0.84 TDP1 (0.44) MAPK1L3MBTL1MAPTLMNA
SCHEMBL12743793 0.84 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL6363118 0.80 CA12 (0.47) CA12CA1CA2CA9CA7
SCHEMBL14571064 0.79 CA12 (0.46) CA12CA1CA2CA9CA7
SCHEMBL4613131 0.79 RARB (0.45) MAPK1HRH3MAPT
SCHEMBL6947559 0.79 MAPK1 (0.57) CA12CA1CA2CA9CA7
SCHEMBL18624978 0.79 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL14464083 0.78 ALDH1A1 (0.55) CA12CA1CA2CA9CA7

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-5300332-A Modified with an aromatic sulfonic acid compound; tensile strength POLYPLASTICS CO., LTD. (JP) 1994-04-05 US disclosed