SCHEMBL2563630

SCHEMBL2563630

O=C(O)CCCc1ccc(CCC(=O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.56
FFAR1 O14842 4/20 0.53
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
TBXAS1 P24557 8/20 0.49
HSD17B10 Q99714 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL11656517 0.95 HDAC3 (0.53) P4HTMFFAR1HDAC3MAPK1ADRA1A
SCHEMBL8414096 0.91 P4HTM (0.66) P4HTMFFAR1TBXAS1FFAR4LMNA
SCHEMBL458571 0.89 ALDH1A1 (0.60) P4HTMFFAR1MAPK1SMN1; SMN2HSD17B10
SCHEMBL7209414 0.83 HRH3 (0.48) P4HTMFFAR1HDAC3MAPK1ADRA1A
SCHEMBL24248047 0.83 FFAR1 (0.53) P4HTMFFAR1MAPK1SMN1; SMN2FFAR4
SCHEMBL18571042 0.83 FFAR1 (0.53) P4HTMFFAR1TBXAS1FFAR4
SCHEMBL29027272 0.81 P4HTM (0.62) P4HTMFFAR1TBXAS1FFAR4LMNA
SCHEMBL20825442 0.79 P4HTM (0.60) P4HTMFFAR1TBXAS1FFAR4LMNA
SCHEMBL22652852 0.79 P4HTM (0.60) P4HTMFFAR1SMN1; SMN2TBXAS1FFAR4
SCHEMBL20037801 0.79 SMN1; SMN2 (0.52) P4HTMFFAR1HDAC3MAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62070360-A None JP disclosed
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
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 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
JP-S6270360-A PYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND BANYU PHARMACEUT CO LTD 1987-03-31 JP disclosed