SCHEMBL6943684

SCHEMBL6943684

CN(C)c1ccccc1C(=O)O.[Zn]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
GAA P10253 2/20 0.69
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
ALOX15 P16050 1/20 0.54
CNR2 P34972 2/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
HMGB1 P09429 1/20 0.46
CA6 P23280 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA14 Q9ULX7 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
SCHEMBL15240 0.98 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2GAATP53
Water SCHEMBL11574791 0.96 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2GAATP53
SCHEMBL4217683 0.96 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2GAATP53
Phthalic Acid SCHEMBL25407447 0.96 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2GAATP53
Hydrochloric Acid SCHEMBL1980339 0.96 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2GAATP53
Ethylene SCHEMBL27419882 0.94 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2GAATP53
Alcohol SCHEMBL19614806 0.90 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2GAATP53
SCHEMBL27823469 0.88 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2GAATP53
Methacrylic Acid SCHEMBL22042325 0.87 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2GAATP53
Anthranilic Acid SCHEMBL1866740 0.87 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2GAATP53

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-1307189-A2 METHOD OF TREATING SYMPTOMS OF COMMON COLD, ALLERGIC RHINITIS AND INFECTIONS RELATING TO THE RESPIRATORY TRACT Immupharm APS (DK) 2003-05-07 EP disclosed
WO-2002009699-A2 METHOD OF TREATING SYMPTOMS OF COMMON COLD, ALLERGIC RHINITIS AND INFECTIONS RELATING TO THE RESPIRATORY TRACT IMMUPHARM APS (DK) 2002-02-07 WO disclosed