SCHEMBL9960072

SCHEMBL9960072

C=CCOc1ccc(N)cc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
TSHR P16473 2/20 0.70
LIG1 P18858 1/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 2/20 0.47
RECQL P46063 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL5098437 0.84 ALDH1A1 (0.55) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL18614861 0.84 GAA (0.70) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL3316495 0.84 GAA (0.70) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL8168167 0.83 TSHR (0.68) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL20471955 0.83 TSHR (0.68) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL3314718 0.83 GAA (1.00) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL20471974 0.83 GAA (0.68) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL3319882 0.83 GAA (0.68) GAATSHRLIG1ALDH1A1KDM4E
SCHEMBL4296273 0.81 GAA (0.67) GAATSHRLIG1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8164468 0.81 TSHR (0.66) GAATSHRLIG1ALDH1A1KDM4E

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
EP-2215050-B1 MANUFACTURING METHOD OF 2-HYDROXY-5-PHENYLALKYLAMINOBENZOIC ACID DERIVATIVES AND THEIR SALTS NEUROTECH PHARMACEUTICALS CO LTD (KR) 2012-06-27 EP claimed