SCHEMBL3159928

SCHEMBL3159928

Clc1ccc(C(OC(c2ccc(Cl)cc2)C2CO2)C2CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.43
SLC6A2 P23975 7/20 0.40
SLC6A3 Q01959 6/20 0.40
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ADRB2 P07550 1/20 0.34
CHRM1 P11229 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL9139023 0.89 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3ADRB2CHRM1
SCHEMBL7227399 0.80 IDO1 (0.38) SLC6A4SLC6A2IDO1TDO2
SCHEMBL7235653 0.80 IDO1 (0.38) SLC6A4SLC6A2IDO1TDO2
SCHEMBL3784692 0.80 CHRNA7 (0.39) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL10488435 0.80 CYP2A6 (0.32) SLC6A4SLC6A2
SCHEMBL14889775 0.80 ESR1 (0.37) SLC6A2SLC6A3IDO1TDO2TSHR
SCHEMBL151181 0.79 IDO1 (0.44) SLC6A4SLC6A2SLC6A3IDO1TSHR
SCHEMBL3687682 0.79 IDO1 (0.44) SLC6A4SLC6A2SLC6A3IDO1TSHR
SCHEMBL8924148 0.78 HSD17B2 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL333671 0.77 CA12 (0.41) TSHRMAPK1TDP1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605937-B1 Antistatic resin composition DAISO CO LTD (JP) 1997-06-11 EP claimed
US-5401783-A Adhesion-promoting agents incorporating polyvalent cations AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1995-03-28 US claimed
US-5270351-A Adhesion-promoting agents incorporating polyvalent cations AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1993-12-14 US claimed
CN-104903359-A Method for forming polymerization catalysts with controlled catalyst properties and use thereof in olefin polymerization BASF SE 2015-09-09 CN disclosed
CN-102186840-B Piperidine compounds, pharmaceutical compositions containing the same and uses thereof SK BIOPHARMACEUTICALS CO LTD 2015-03-25 CN disclosed
CN-104024282-A Polymer composition containing oxidation-modifiable chlorinated propylene and method for producing same TOYO BOSEKI 2014-09-03 CN disclosed
CN-103189399-B Method for producing chlorinated propylene-containing polymer TOYO BOSEKI 2014-08-27 CN disclosed
CN-103980184-A Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO LTD 2014-08-13 CN disclosed
CN-101228154-B Tetracyclic tetrahydrofuran derivatives containing a cyclic amine side chain JANSSEN PHARMACEUTICA NV 2014-01-29 CN disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
CN-103189399-A Method for producing chlorinated propylene-containing polymer TOYO BOSEKI 2013-07-03 CN disclosed
EP-0702015-A1 Bicyclic oxazole and thiazole substituted ethers SANDOZ LTD. (CH) 1996-03-20 EP disclosed
WO-1995014690-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 WO disclosed
US-5401783-A Adhesion-promoting agents incorporating polyvalent cations AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1995-03-28 US disclosed
US-5270351-A Adhesion-promoting agents incorporating polyvalent cations AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1993-12-14 US disclosed
EP-0141324-B1 ADHESION PROMOTING AGENT, PROCESS FOR ITS PREPARATION AND USE THEREOF ON COLLAGENEOUS MATERIAL BAYER AG (DE) 1988-06-29 EP disclosed
US-4593054-A Dentistry BAYER AKTIENGESELLSCHAFT (DE) 1986-06-03 US disclosed
EP-0141324-A2 Adhesion promoting agent, process for its preparation and use thereof on collageneous material BAYER AG (DE) 1985-05-15 EP disclosed
US-4237132-A ARTERIOSCLEROSIS, ANTICHOLESTEROL, ANTILIPEMIC NIPPON SHINYAKU CO., LTD. (JP) 1980-12-02 US disclosed
US-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 US disclosed