SCHEMBL9664247

SCHEMBL9664247

Cc1ccc(S(=O)(=O)OC(C)COc2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ENPP2 Q13822 1/20 0.43
ALDH1A1 P00352 5/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL29789457 0.81 CA1 (0.42) ALDH1A1DRD2DRD4DRD3CA1
SCHEMBL28903042 0.79 CYP1A2 (0.42) ALDH1A1CA1CA2CA9KMT2A
SCHEMBL10688193 0.78 ENPP3 (0.46) MAPTTP53ENPP3ENPP1ENPP2
SCHEMBL29163769 0.78 ENPP3 (0.43) MAPTTP53ENPP3ENPP1ENPP2
SCHEMBL320440 0.77 ALDH1A1 (0.43) ALDH1A1CA1CA2CA7CA9
SCHEMBL320439 0.77 ALDH1A1 (0.43) ALDH1A1CA1CA2CA7CA9
SCHEMBL30001425 0.77 ALDH1A1 (0.43) ALDH1A1CA1CA2CA7CA9
SCHEMBL2337309 0.77 GAA (0.41) ALDH1A1CA1CA2CA7CA9
SCHEMBL1148936 0.77 GAA (0.41) ALDH1A1CA1CA2CA7CA9
SCHEMBL6118689 0.77 ALDH1A1 (0.43) ALDH1A1CA1CA2CA7CA9

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
US-5090994-A HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS AGRO-KANESHO CO., LTD. (JP) 1992-02-25 US disclosed
EP-0384973-A2 Heterocyclic compounds, method for preparing the same and herbicidal compositions containing the compounds as effective components AGRO-KANESHO CO., LTD. (JP) 1990-09-05 EP disclosed