SCHEMBL2567549

SCHEMBL2567549

Cc1cc(CCCCO)cc(CCCCO)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.35
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
CYP3A4 P08684 1/20 0.33
PTGS2 P35354 1/20 0.33
TGFBR1 P36897 1/20 0.33
BCHE P06276 1/20 0.33
THRB P10828 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
SCHEMBL11732278 0.83 PTGS2 (0.47) NOS2MAPK1CYP3A4PTGS2
SCHEMBL11030679 0.82 KMT2A (0.37) KMT2AMEN1GAAMAPK1THRB
SCHEMBL5162218 0.80 CYP1A2 (0.34) NOS2NOS3NOS1KMT2AMEN1
SCHEMBL3932529 0.75 KCNH2 (0.34) NOS2KMT2ATHRB
SCHEMBL24258739 0.73 BCHE (0.41) CYP4F2CYP4A11BCHE
SCHEMBL16548415 0.72 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL2759001 0.72 CA2 (0.45) TNKS2CYP4F2CYP4A11CYP3A4PTGS2
SCHEMBL20099859 0.72 KCNH2 (0.50) NOS2NOS3NOS1KMT2AMEN1
SCHEMBL28266224 0.71 TNKS2 (0.41) TNKS2MAPK1CYP4F2CYP4A11CYP3A4
SCHEMBL20730272 0.70 KCNH2 (0.53) NOS2NOS3NOS1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382274-B1 AQUEOUS COATING COMPOSITION COMPRISING PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (DE) 2015-04-22 EP disclosed
EP-2382274-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF Coatings GmbH (DE) 2011-11-02 EP disclosed
WO-2010077404-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF COATINGS GMBH (US) 2010-07-08 WO disclosed
US-20100167069-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF CORPORATION (US) 2010-07-01 US disclosed
US-20100167071-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT COMPOSITION WITH METAL OXIDE BASF CORPORATION (US) 2010-07-01 US disclosed