SCHEMBL15570252

SCHEMBL15570252

COCCOc1c(Cl)c(C(=O)C2=C(O)CCCC2=O)nn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 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
SCHEMBL15569803 0.79 POLB (0.35) ALDH1A1
SCHEMBL15569454 0.78 MEN1 (0.41) ALDH1A1NR3C1
SCHEMBL15569494 0.74 TP53 (0.33) ALDH1A1NR3C1
SCHEMBL15569361 0.74 MEN1 (0.39) ALDH1A1
SCHEMBL15568846 0.73 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL15568776 0.69 MEN1 (0.33)
SCHEMBL15569974 0.69 NR3C1 (0.34) ALDH1A1NR3C1
SCHEMBL29587221 0.67 SMN1; SMN2 (0.33)
SCHEMBL13736433 0.66 CYP1A2 (0.38) ALDH1A1
SCHEMBL13736166 0.66 CYP1A2 (0.41) 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