SCHEMBL2570049

SCHEMBL2570049

O=C(O)CCCCc1cccnc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.51
F13A1 P00488 3/20 0.47
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
TBXA2R P21731 2/20 0.43
CYP4A11 Q02928 1/20 0.43
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
Succinic Acid SCHEMBL15772808 0.82 KDM4E (0.42) TBXAS1MAPTKDM4ECYP1A2
SCHEMBL8003454 0.81 IAPP (0.45) MAPTKDM4ECYP1A2SMN1; SMN2
SCHEMBL22826566 0.78 MAPT (0.67) TBXAS1F13A1MAPTRXFP1HDAC3
SCHEMBL4791536 0.77 LIPG (0.49) TBXAS1MAPTKDM4ESLC6A3
SCHEMBL10397472 0.77 TBXAS1 (0.46) TBXAS1F13A1MAPTRXFP1CYP4A11
SCHEMBL3064043 0.77 KDM4E (0.65) MAPTKDM4ECYP1A2
SCHEMBL26547489 0.77 SHMT2 (0.51) TBXAS1MAPTKDM4ECYP1A2CYP4A11
SCHEMBL5164996 0.76 LIPG (0.51) TBXAS1MAPTKDM4ESLC6A3
SCHEMBL3623274 0.75 AKR1B1 (0.59) TBXAS1F13A1MAPTRXFP1HDAC3
SCHEMBL22826567 0.74 MAPT (0.62) TBXAS1F13A1MAPTRXFP1HDAC3

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 4 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