SCHEMBL8100448

SCHEMBL8100448

O=C1Oc2ccccc2C1c1ccccc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.38
ATM Q13315 3/20 0.37
TP53 P04637 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 1/20 0.36
P2RX3 P56373 7/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CRHBP P24387 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL3261982 0.83 LMNA (0.45) CYP2C9ATMTP53HTTGAA
SCHEMBL9280347 0.82 PTGDR2 (0.51) CYP2C9ATMMAPK1SMN1; SMN2ALDH1A1
SCHEMBL30561156 0.81 ALDH1A1 (0.44) CYP2C9ATMHTTGAAMAPK1
SCHEMBL5605404 0.81 ALDH1A1 (0.44) CYP2C9ATMHTTGAAMAPK1
SCHEMBL4604946 0.77 GAA (0.41) TP53HTTGAAMAPK1RAB9A
SCHEMBL8101283 0.75 KDM4E (0.45) CYP2C9ATMGAATSHRALDH1A1
SCHEMBL8100443 0.74 CYP2C9 (0.38) CYP2C9ATMGAATSHRSMN1; SMN2
SCHEMBL28896928 0.73 TP53 (0.50) TP53HTTMAPK1RAB9AIDO1
SCHEMBL31697574 0.72 TYMS (0.42) CYP2C9ATMGAAALDH1A1KDM4E
SCHEMBL6074814 0.72 CYP2C9 (0.46) CYP2C9ATMGAATSHRRAB9A

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 4 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
CN-1040208-C 3-(2-acyloxyethoxyphenyl) benzofuran-2-ones for use as stabilizers SPECIALTY CHEMICALS HOLDING IN (CH) 1998-10-14 CN 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