SCHEMBL9428158

SCHEMBL9428158

CCOc1ccc(C2C(=O)Oc3ccc(OC(=O)C(C)(C)C)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.39
CA2 P00918 2/20 0.38
ELANE P08246 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 5/20 0.37
ESR2 Q92731 4/20 0.36
PARP10 Q53GL7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL8705661 0.83 ALDH1A1 (0.47) GAAALDH1A1MEN1KMT2AESR1
SCHEMBL9191296 0.80 GAA (0.64) GAAALDH1A1ESR1KDM4EHPGD
SCHEMBL29612322 0.76 MAPT (0.49) GAAALDH1A1MEN1KMT2AESR1
SCHEMBL8705954 0.74 ESR1 (0.47) GAAALDH1A1MEN1KMT2AESR1
SCHEMBL8325256 0.74 ALDH1A1 (0.46) GAAALDH1A1MEN1KMT2AESR1
SCHEMBL9573819 0.73 GAA (0.45) GAAALDH1A1ESR1ESR2KDM4E
SCHEMBL8705412 0.72 GAA (0.59) GAAALDH1A1MEN1KMT2AESR1
SCHEMBL13412705 0.72 NR5A1 (0.51) GAAALDH1A1MEN1KMT2AESR1
SCHEMBL8710451 0.71 ALDH1A1 (0.41) GAAALDH1A1CA2MEN1KMT2A
SCHEMBL9319431 0.71 GAA (0.62) GAAALDH1A1MEN1KMT2AKDM4E

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-5367008-A 3-(alkoxyphenyl)benzofuran-2-ones as stabilisers CIBA-GEIGY CORPORATION (US) 1994-11-22 US disclosed