SCHEMBL4661998

SCHEMBL4661998

COC(OCCl)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL29783007 0.83 TSHR (0.39) SCN1ASCN2ASCN3ALMNATSHR
SCHEMBL5704661 0.81 L3MBTL1 (0.41) SCN1ASCN2ASCN3ALMNATSHR
SCHEMBL26689 0.79 KMT2A (0.44) LMNATSHRHTR2AHRH1ATM
SCHEMBL1232983 0.79 SCN1A (0.36) SCN1ASCN2ASCN3ALMNATSHR
SCHEMBL15384209 0.79 SCN1A (0.40) SCN1ASCN2ASCN3ALMNATSHR
SCHEMBL14417585 0.79 HTT (0.41) SCN1ASCN2ASCN3ALMNATSHR
SCHEMBL4413012 0.78 SLC6A2 (0.45) TSHRCYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL22542374 0.78 HPGD (0.40) SCN1ASCN2ASCN3ALMNATSHR
Lithium SCHEMBL30301644 0.77 KMT2A (0.43) TSHRHTR2AHRH1ATML3MBTL1
Iodide SCHEMBL27504755 0.77 KMT2A (0.43) TSHRHTR2AHRH1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018144717-A1 NEW PLEUROMUTILIN ANTIBIOTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND SYNTHESIS YALE UNIVERSITY (US) 2018-08-09 WO disclosed
WO-2017031209-A1 TUBULYSIN ANALOGS AND METHODS ENDOCYTE, INC. (US) 2017-02-23 WO disclosed
EP-2004618-A1 TELOMERASE INHIBITORS Imperial Innovations Limited (GB) 2008-12-24 EP disclosed
WO-2007128968-A1 TELOMERASE INHIBITORS IMPERIAL INNOVATIONS LIMITED (GB) 2007-11-15 WO disclosed
EP-1414384-A4 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS UNIV MISSISSIPPI (US) 2005-07-27 EP disclosed
CN-1176936-C Carbamycin derivatives and pharmaceutical compositions containing the same ������������ʽ���� 2004-11-24 CN disclosed
EP-1414384-A2 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS The University of Mississippi (US) 2004-05-06 EP disclosed
CN-1382152-A Novel A-500359 derivatives SANKYO CO (JP) 2002-11-27 CN disclosed
WO-2002030356-A2 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS THE UNIVERSITY OF MISSISSIPI (US) 2002-04-18 WO disclosed