SCHEMBL8306842

SCHEMBL8306842

O=C(O)c1cccc(-c2ccccc2)c1S(=O)(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.51
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BCAT2 O15382 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MYC P01106 1/20 0.39

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
SCHEMBL30153392 0.79 HNF4A (0.56) HNF4AFABP3FABP4FABP5ALDH1A1
SCHEMBL29226029 0.79 HNF4A (0.56) HNF4AFABP3FABP4FABP5ALDH1A1
SCHEMBL11521866 0.75 HNF4A (0.41) HNF4AALDH1A1ALOX15L3MBTL1CA1
SCHEMBL8415183 0.73 HNF4A (0.58) HNF4AFABP3FABP4FABP5ALDH1A1
SCHEMBL7407371 0.73 HNF4A (0.73) HNF4AFABP3FABP4FABP5ALDH1A1
Phthalic Acid SCHEMBL8745684 0.73 HNF4A (0.53) HNF4AFABP3FABP4FABP5ALDH1A1
SCHEMBL8305586 0.73 SMN1; SMN2 (0.51) ALDH1A1ALOX15L3MBTL1LMNAMAPT
SCHEMBL133057 0.71 HNF4A (0.69) HNF4AFABP3FABP4FABP5ALDH1A1
Benzene SCHEMBL28480917 0.71 HNF4A (0.69) HNF4AFABP3FABP4FABP5ALDH1A1
SCHEMBL26624744 0.71 HNF4A (0.69) HNF4AFABP3FABP4FABP5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed