SCHEMBL3369695

SCHEMBL3369695

CCN(CC)CC.Cc1ccc(O)cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RECQL P46063 3/20 0.47
ESR2 Q92731 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
ESR1 P03372 3/20 0.37
NSD2 O96028 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.36
PTGS1 P23219 1/20 0.36
BRD4 O60885 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
SCHEMBL121153 0.88 LMNA (0.53) LMNAHPGDHIF1AHSD17B10RECQL
Water SCHEMBL3002925 0.86 LMNA (0.51) LMNAHPGDHIF1AHSD17B10RECQL
Hydrochloric Acid SCHEMBL5858440 0.86 LMNA (0.51) LMNAHPGDHIF1AHSD17B10RECQL
Ammonia Solution, Strong SCHEMBL1924833 0.86 LMNA (0.51) LMNAHPGDHIF1AHSD17B10RECQL
Ethylene Glycol SCHEMBL6331832 0.84 LMNA (0.51) LMNAHPGDHIF1AHSD17B10RECQL
SCHEMBL8506852 0.83 LMNA (0.51) LMNAHPGDHIF1AHSD17B10RECQL
Ethylenediamine SCHEMBL8311256 0.83 LMNA (0.50) LMNAHPGDHIF1AHSD17B10RECQL
SCHEMBL4890522 0.82 ALDH1A1 (0.46) HSD17B10RECQLESR2POLBALDH1A1
SCHEMBL2919989 0.82 LMNA (0.50) LMNAHPGDHIF1AHSD17B10RECQL
1,4-Butanediol SCHEMBL8980142 0.81 LMNA (0.49) LMNAHPGDHIF1AHSD17B10RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121804-B1 METHOD FOR THE HOMOGENEOUSLY CATALYZED PRODUCTION OF TERMINAL GROUP-CAPPED POLYETHERS SALTIGO GMBH (DE) 2010-06-30 EP disclosed
EP-2089362-A1 METAL CHELATES HAVING A PERFLUORINATED PEG GROUP, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2009-08-19 EP disclosed
WO-2008046463-A1 METAL CHELATES HAVING A PERFLUORINATED PEG GROUP, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 WO disclosed
EP-1904463-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
EP-1904462-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
WO-2007009638-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
WO-2007009637-A2 COMPLEXES CONTAINING PERFLUOROALKYL, THEIR USE AS CONTRAST MEDIA FOR NMR, X-RAY AND RADIO DIAGNOSIS AND RADIOTHERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
EP-1163231-B1 PERFLUOROALKYLAMIDE, THE PRODUCTION THEREOF AND THE USE THEREOF IN DIAGNOSTICS SCHERING AG (DE) 2005-10-05 EP disclosed
EP-1307236-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002013874-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
EP-0946525-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
WO-1998024775-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 WO disclosed