SCHEMBL16952948

SCHEMBL16952948

[CH2]c1cc(CCC)cc(OCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.43
CNR2 P34972 16/20 0.43
LTA4H P09960 1/20 0.38

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
SCHEMBL16953777 0.87 LTA4H (0.42) CNR1CNR2LTA4H
SCHEMBL16952388 0.85 NQO1 (0.38) CNR1CNR2
SCHEMBL5271649 0.85 PLA2G2A (0.47) LTA4H
SCHEMBL27741360 0.84 CNR1 (0.42) CNR1CNR2LTA4H
SCHEMBL16960766 0.81 PTGES (0.39) CNR1CNR2LTA4H
SCHEMBL16952952 0.80 CNR1 (0.43) CNR1CNR2LTA4H
SCHEMBL16959480 0.79 NQO1 (0.44) LTA4H
SCHEMBL16956526 0.79 PTGS2 (0.47)
SCHEMBL16957411 0.79 CNR1 (0.33) CNR1CNR2
SCHEMBL5266313 0.79 PLA2G2A (0.55) CNR1CNR2LTA4H

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed