SCHEMBL8914902

SCHEMBL8914902

CCCOCCc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.53
SLC6A2 P23975 4/20 0.53
ALDH1A1 P00352 4/20 0.53
ADRA2A P08913 3/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CHRM1 P11229 2/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53
TST Q16762 1/20 0.53

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
SCHEMBL9260232 0.94 ALDH1A1 (0.53) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL8389404 0.89 ESR1 (0.65) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL8939444 0.88 ESR1 (0.60) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL11237561 0.88 ESR1 (0.60) ESR1SLC6A2ALDH1A1ADRA2AADORA3
Hydroquinone SCHEMBL212722 0.87 LTA4H (0.56) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL28656684 0.86 ESR1 (0.63) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL9253926 0.86 ESR1 (0.63) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL10750273 0.85 ESR1 (0.54) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL25299458 0.85 ESR1 (0.67) ESR1SLC6A2ALDH1A1ADRA2AADORA3
SCHEMBL11228902 0.85 ESR1 (0.67) ESR1SLC6A2ALDH1A1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
US-5602285-A ETHERIFICATION OF PHENETHYL ALCOHOL WITH PRIMARY ALIPHATIC ALCOHOL IN PRESENCE OF ACID CATALYST HOECHST CELANESE CORP. (US) 1997-02-11 US disclosed
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
EP-0093320-B1 PROCESS FOR THE EXTRACTION OF ONIUM SALTS FROM PROCESS AND WASTE WATERS BAYER AG (DE) 1987-06-16 EP disclosed
US-4487698-A REMOVING QUATERNARY AMMONIUM AND PHOSPHONIM SALTS WITH PHENOLIC COMPOUNDS; PHASE TRANSFER BAYER AKTIENGESELLSCHAFT (DE) 1984-12-11 US disclosed
EP-0093320-A2 Process for the extraction of onium salts from process and waste waters BAYER AG (DE) 1983-11-09 EP disclosed