SCHEMBL11222239

SCHEMBL11222239

COC(=O)c1cc(Cl)c(C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ABL1 P00519 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43

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
SCHEMBL70011 0.91 GAA (0.58) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL852879 0.88 GAA (0.51) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28972569 0.87 GAA (0.45) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL30337032 0.87 LCK (0.47) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3681759 0.87 LCK (0.47) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL15543794 0.87 GAA (0.46) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11308122 0.87 GAA (0.66) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL30337082 0.87 GAA (0.45) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11349180 0.87 GAA (0.61) GAAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL16869865 0.87 LCK (0.51) GAAMEN1KMT2ALMNASMN1; SMN2

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-4339601-A DECARBOXYLATION, DIMETHYL SULFOXIDE, DIMETHYLFORMAMIDE UNION CARBIDE CORPORATION (US) 1982-07-13 US disclosed
US-4252979-A 2,5-DICHLORO-3-NITRO, HERBICIDES AMCHEM PRODUCTS INC. (US) 1981-02-24 US disclosed