SCHEMBL6790729

SCHEMBL6790729

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.72
HPSE Q9Y251 13/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
GRK6 P43250 1/20 0.39

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 0.90 GAA (0.75) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL3102305 0.84 GAA (1.00) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7238051 0.82 GAA (0.80) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL6782984 0.79 GAA (0.60) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7972175 0.79 GAA (0.59) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL3738502 0.79 GAA (0.74) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL6790783 0.78 GAA (0.43) GAAKDM4EMEN1KMT2AGRK6
SCHEMBL11638476 0.76 GAA (0.71) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL7970834 0.76 GAA (0.56) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL6785086 0.76 MEN1 (0.40) GAAKDM4EMEN1ALDH1A1KMT2A

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
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed