SCHEMBL8890918

SCHEMBL8890918

COc1ccc(-c2cccc(OC)c2C(=O)O)nn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL14451025 0.77 RAB9A (0.55) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL8381593 0.77 CA12 (0.74) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.75 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL4002652 0.74 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL30536599 0.74 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL16040055 0.74 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8889745 0.73 HCRTR1 (0.50) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL11457745 0.73 CA12 (0.95) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL7867072 0.73 CA12 (0.95) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL28906099 0.73 CA12 (0.95) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012883-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF SUBSTITUTED SALICYLIC ACID DERIVATIVES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-10 WO disclosed