SCHEMBL10929397

SCHEMBL10929397

CNc1cc(O)cc(C(=O)OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.70
CA1 P00915 5/20 0.70
CA2 P00918 5/20 0.70
CA7 P43166 5/20 0.70
CA9 Q16790 5/20 0.70
CA14 Q9ULX7 5/20 0.70
KDM4E B2RXH2 4/20 0.52
XDH P47989 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL10932496 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL3284842 0.88 KDM4E (0.59) CA12CA1CA2CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.83 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL46504 0.83 CA12 (0.91) CA12CA1CA2CA7CA9
SCHEMBL12878508 0.81 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL12852693 0.81 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL10932231 0.80 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL10934796 0.80 CA1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL10932391 0.80 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL12852697 0.79 KDM4E (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0134782-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-5-HYDROXYBENZOIC ACIDS AND DERIVATIVES AND ANALOGUES THEREOF THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1985-03-27 EP disclosed
EP-0134782-A4 PROCESS FOR THE PREPARATION OF 3-AMINO-5-HYDROXYBENZOIC ACIDS AND DERIVATIVES AND ANALOGUES THEREOF. UNIV AUSTRALIAN (AU) 1985-02-18 EP disclosed
WO-1984000750-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-5-HYDROXYBENZOIC ACIDS AND DERIVATIVES AND ANALOGUES THEREOF UNIV AUSTRALIAN (AU) 1984-03-01 WO disclosed