SCHEMBL11270945

SCHEMBL11270945

CCOC(=O)C(C(C)=O)C(C(=O)CC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GLO1 Q04760 1/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL11257484 0.91 ALDH1A1 (0.45) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11264969 0.90 ALDH1A1 (0.48) LMNAGLO1KMT2AMEN1HPGD
SCHEMBL11269214 0.89 LMNA (0.43) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11253650 0.88 CACNA1F (0.45) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11266663 0.88 MAPT (0.44) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11266095 0.88 LMNA (0.40) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11254374 0.88 HTT (0.47) LMNACYP2D6CYP2C9CYP2C19GAA
SCHEMBL11270360 0.87 MEN1 (0.40) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11271125 0.87 LMNA (0.48) LMNANPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL11257451 0.87 LMNA (0.40) LMNANPSR1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed