SCHEMBL3360072

SCHEMBL3360072

C#CCCC(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
FFAR1 O14842 2/20 0.41
CYP2C19 P33261 1/20 0.40
ACP3 P15309 2/20 0.39
POLB P06746 1/20 0.38
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL7056269 0.90 CYP2C19 (0.49) CYP2C19POLBLMNA
SCHEMBL7345071 0.80 PTGS2 (0.52) PTGS2CTSSCTSKFFAR1CYP2C19
SCHEMBL5629157 0.78 LMNA (0.41) PTGS2FFAR1ACP3LMNACHRNB2
SCHEMBL28710491 0.78 MMP9 (0.51) PTGS2FFAR1CYP2C19ABCC4LMNA
SCHEMBL877720 0.78 PTGS2 (0.50) PTGS2CTSSCTSKFFAR1CYP2C19
SCHEMBL1310192 0.78 CHRNB2 (0.57) PTGS2CTSSCTSKFFAR1CYP2C19
SCHEMBL8357747 0.77 TBXAS1 (0.50) CYP2C19POLB
SCHEMBL28980708 0.77 PTGS2 (0.57) PTGS2CTSSCTSKFFAR1CYP2C19
SCHEMBL30372175 0.77 PTGS2 (0.57) PTGS2CTSSCTSKFFAR1CYP2C19
SCHEMBL30372158 0.75 PTGS2 (0.55) PTGS2CTSSCTSKFFAR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188264-A2 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
WO-2009035150-A2 4-PHENYL-5-HYDROXY-3(2H)-PYRIDAZINONE DERIVATIVES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed