SCHEMBL15569494

SCHEMBL15569494

COCCOc1c(Cl)c(C(=O)OC2=CC(=O)CCC2)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 2/20 0.31
MGLL Q99685 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL15569454 0.78 MEN1 (0.41) TP53ALDH1A1NR3C1MAPT
SCHEMBL15569784 0.75 LMNA (0.32)
SCHEMBL15570252 0.74 ALDH1A1 (0.31) ALDH1A1NR3C1
SCHEMBL15569366 0.72 MAPT (0.31) MAPT
SCHEMBL15570064 0.70 TP53 (0.43) TP53MAPT
SCHEMBL15570307 0.69 TP53 (0.44) TP53ALDH1A1MAPT
SCHEMBL15569974 0.69 NR3C1 (0.34) TP53ALDH1A1NR3C1
SCHEMBL15569514 0.68 ATM (0.38) ALDH1A1MAPT
SCHEMBL13734854 0.67 CYP1A2 (0.37) ALDH1A1MAPT
SCHEMBL6480696 0.66 LMNA (0.32) ALDH1A1

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
WO-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed