SCHEMBL7970834

SCHEMBL7970834

CC(C)(C)Cc1nc2cc(CC(=O)OC(=O)CC(=O)O)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
HPSE Q9Y251 8/20 0.42
ACLY P53396 1/20 0.41
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACSL1 P33121 1/20 0.37
GRK6 P43250 1/20 0.36

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
SCHEMBL7970831 0.94 GAA (0.53) GAAKDM4EALDH1A1NPC1MAPK1
SCHEMBL5733947 0.85 GAA (0.75) GAAKDM4EALDH1A1HPSEACLY
SCHEMBL7972175 0.80 GAA (0.59) GAAKDM4EALDH1A1NPC1MAPK1
SCHEMBL6790729 0.76 GAA (0.72) GAAKDM4EALDH1A1HPSEMEN1
SCHEMBL6782984 0.76 GAA (0.60) GAAKDM4EALDH1A1HPSEACLY
SCHEMBL5736775 0.74 GAA (0.48) GAANPC1ACLYRAB9AMEN1
SCHEMBL7984144 0.72 KDM4E (0.47) GAAKDM4EALDH1A1ACLYMEN1
SCHEMBL3102305 0.72 GAA (1.00) GAAKDM4EALDH1A1NPC1HPSE
SCHEMBL7993840 0.72 GRK6 (0.50) GAAKDM4EALDH1A1NPC1ACLY
SCHEMBL7993937 0.71 GAA (0.43) GAAKDM4ENPC1ACLYRAB9A

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-2001055143-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed