SCHEMBL7972175

SCHEMBL7972175

CC(=O)Cc1ccc2oc(CC(C)(C)C)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
ACLY P53396 1/20 0.44
GRK6 P43250 1/20 0.43
NPC1 O15118 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPSE Q9Y251 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5733947 0.89 GAA (0.75) GAAACLYGRK6KDM4EHPSE
SCHEMBL7970831 0.83 GAA (0.53) GAAACLYGRK6NPC1KDM4E
SCHEMBL7970834 0.80 GAA (0.56) GAAACLYGRK6NPC1KDM4E
SCHEMBL7993840 0.80 GRK6 (0.50) GAAACLYGRK6NPC1KDM4E
SCHEMBL6790729 0.79 GAA (0.72) GAAGRK6KDM4EHPSEALDH1A1
SCHEMBL6782984 0.79 GAA (0.60) GAAACLYKDM4EHPSEALDH1A1
SCHEMBL7973727 0.77 GRK6 (0.55) GAAACLYGRK6NPC1KDM4E
SCHEMBL7978062 0.77 CA12 (0.48) GAAACLYNPC1KDM4ERAB9A
SCHEMBL5735113 0.76 GAA (0.43) GAAACLYKDM4EHPSEMAPT
SCHEMBL5736775 0.76 GAA (0.48) GAAACLYGRK6NPC1RAB9A

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