SCHEMBL9309449

SCHEMBL9309449

CCCCOc1ccc(S(=O)(=O)Oc2cccc(OS(=O)(=O)c3ccc(OCCCC)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ TSHR P16473 4/20 0.57
▸ CA12 O43570 3/20 0.57
▸ CA1 P00915 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ CA7 P43166 2/20 0.57
▸ LTA4H P09960 2/20 0.49
▸ F2 P00734 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HTT P42858 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KAT6A Q92794 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.47
▸ TLR4 O00206 1/20 0.46
▸ TLR2 O60603 1/20 0.46

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
SCHEMBL29673569 0.85 CA2 (0.59) L3MBTL1MAPK1TDP1GAATSHR
SCHEMBL22187156 0.85 CA2 (0.59) L3MBTL1MAPK1TDP1GAATSHR
SCHEMBL11844829 0.84 CA12 (0.56) L3MBTL1MAPK1TDP1GAATSHR
SCHEMBL23361660 0.83 CA12 (0.46) L3MBTL1MAPK1TDP1GAATSHR
SCHEMBL11701267 0.82 KAT6A (0.47) F2KAT6APLA2G4B
SCHEMBL30579858 0.82 CA2 (0.62) MAPK1TSHRCA12CA1CA2
SCHEMBL22187321 0.82 CA2 (0.62) MAPK1TSHRCA12CA1CA2
SCHEMBL11591245 0.80 CA12 (0.68) L3MBTL1MAPK1TSHRCA12CA1
SCHEMBL22187520 0.79 CA2 (0.53) L3MBTL1MAPK1TDP1GAATSHR
SCHEMBL29671358 0.79 CA2 (0.53) L3MBTL1MAPK1TDP1GAATSHR

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-5340489-A Reducing the friction between two metal moving surfaces at high temperature THE DOW CHEMICAL COMPANY (US) 1994-08-23 — — US disclosed
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