SCHEMBL1285933

SCHEMBL1285933

O=C(O)c1cccc(S(=O)(=O)Oc2ccc3ccccc3c2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ SENP8 Q96LD8 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL1286026 0.86 MEN1 (0.47) MEN1KMT2ALMNASMN1; SMN2CA1
SCHEMBL11583249 0.81 POLB (0.44) MEN1KMT2AESR1ATMESR2
SCHEMBL11583037 0.81 KDM4E (0.48) MEN1KMT2ALMNAHTTMAPK1
SCHEMBL1286016 0.81 CA1 (0.45) MEN1KMT2AL3MBTL1TDP1LMNA
SCHEMBL11699547 0.81 FABP4 (0.45) MEN1KMT2AHTTSMN1; SMN2CA1
SCHEMBL11700529 0.81 NR4A1 (0.45) MEN1KMT2AESR1ATMESR2
SCHEMBL4583233 0.77 CYP1A2 (0.45) MEN1KMT2AESR1ESR2TDP1
SCHEMBL7633011 0.76 CA1 (0.44) L3MBTL1SMN1; SMN2CA1CA2CA9
Water SCHEMBL7623289 0.76 CYP1A2 (0.44) MEN1KMT2AESR1ESR2TDP1
SCHEMBL11703815 0.75 L3MBTL1 (0.58) MEN1KMT2AL3MBTL1TDP1LMNA

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-20120088087-A1 AMPHIPHILIC POLYCONDENSATION PRODUCTS AND USE IN COMBINATION WITH POLYESTER OR POLYESTER CONTAINING SURFACES POLYPREC GMBH (DE) 2012-04-12 — — US disclosed
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