SCHEMBL8939437

SCHEMBL8939437

CCCCOc1c(O)cccc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 3/20 0.47
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1419945 0.93 BID (0.49) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL27780049 0.90 IAPP (0.45) IAPPGABRA1GABRB2BIDMCL1
SCHEMBL29286378 0.84 BID (0.42) IAPPBIDMCL1BCL2L1BAK1
Guaiacol SCHEMBL3959515 0.83 ALOX5 (0.49) PPARATSHRMEN1KMT2AMAPT
Anisole SCHEMBL27689481 0.83 MAPT (0.45) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1838521 0.80 CYP1A2 (0.50) PPARGTSHRMEN1KMT2AMAPT
SCHEMBL6858600 0.80 SCN8A (0.45) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL17773504 0.80 PPARG (0.46) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL27544915 0.79 NR5A1 (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL12648400 0.79 CCNB2 (0.42) MCL1MEN1KMT2AALDH1A1MAPT

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-0705239-A4 PROCESS FOR PREPARING PHENETHANOL ETHERS HOECHST CELANESE CORP (US) 1996-08-21 EP disclosed
EP-0705239-A1 PROCESS FOR PREPARING PHENETHANOL ETHERS HOECHST CELANESE CORPORATION (US) 1996-04-10 EP disclosed
WO-1995000467-A1 PROCESS FOR PREPARING PHENETHANOL ETHERS HOECHST CELANESE CORPORATION (US) 1995-01-05 WO disclosed