SCHEMBL7970831

SCHEMBL7970831

CC(C)(C)Cc1nc2cc(CC(=O)OC(=O)CC(=O)OC(=O)Cc3ccc4oc(CC(C)(C)C)nc4c3)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
NPC1 O15118 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
ACLY P53396 1/20 0.43
HPSE Q9Y251 3/20 0.39
GRK6 P43250 1/20 0.39
RAB9A P51151 5/20 0.37
POLB P06746 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
STAT3 P40763 1/20 0.36
KMT2A Q03164 1/20 0.36
ACSL1 P33121 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
SCHEMBL7970834 0.94 GAA (0.56) GAANPC1KDM4EALDH1A1MAPK1
SCHEMBL5733947 0.83 GAA (0.75) GAAKDM4EALDH1A1ACLYHPSE
SCHEMBL7972175 0.83 GAA (0.59) GAANPC1KDM4EALDH1A1MAPK1
SCHEMBL5736775 0.76 GAA (0.48) GAANPC1ACLYGRK6RAB9A
SCHEMBL7993840 0.74 GRK6 (0.50) GAANPC1KDM4EALDH1A1ACLY
SCHEMBL6790729 0.74 GAA (0.72) GAAKDM4EALDH1A1HPSEGRK6
SCHEMBL7993937 0.74 GAA (0.43) GAANPC1KDM4EACLYGRK6
SCHEMBL6782984 0.74 GAA (0.60) GAAKDM4EALDH1A1ACLYHPSE
SCHEMBL7973727 0.72 GRK6 (0.55) GAANPC1KDM4EALDH1A1ACLY
SCHEMBL7973939 0.72 GAA (0.41) GAANPC1ACLYGRK6RAB9A

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