SCHEMBL8100443

SCHEMBL8100443

CC(O)Oc1ccccc1C1C(=O)Oc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 2/20 0.37
PRMT1 Q99873 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NR1I2 O75469 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NQO1 P15559 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 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
SCHEMBL8101283 0.78 KDM4E (0.45) CYP2C9GAAATML3MBTL1ALDH1A1
SCHEMBL8100448 0.74 CYP2C9 (0.38) CYP2C9GAAATML3MBTL1ALDH1A1
SCHEMBL9280347 0.73 PTGDR2 (0.51) CYP2C9ATML3MBTL1ALDH1A1KDM4E
SCHEMBL31697574 0.72 TYMS (0.42) CYP2C9GAAATML3MBTL1ALDH1A1
SCHEMBL3261982 0.72 LMNA (0.45) CYP2C9GAAATML3MBTL1ALDH1A1
SCHEMBL6074814 0.72 CYP2C9 (0.46) CYP2C9GAAATML3MBTL1ALDH1A1
SCHEMBL27491720 0.69 GAA (0.50) CYP2C9GAAATML3MBTL1ALDH1A1
SCHEMBL27766057 0.69 GAA (0.56) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL25724165 0.68 GAA (0.45) CYP2C9GAAATMALDH1A1MAOA
SCHEMBL11012886 0.68 KMT2A (0.47) GAAALDH1A1KDM4ECYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591102-B1 3-(2-Acyloxyethoxyphenyl)benzofuran-2-ones as stabilizers CIBA SC HOLDING AG (CH) 2000-10-18 EP disclosed
US-5428162-A For protecting organic materials against thermal, oxidative or light-induced degradation CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
EP-0591102-A1 3-(2-Acyloxyethoxyphenyl)benzofuran-2-ones as stabilizers CIBA-GEIGY AG (CH) 1994-04-06 EP disclosed