SCHEMBL16962181

SCHEMBL16962181

[CH2]c1cc(I)cc(OC(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALDH1A3 P47895 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRB2 P47870 1/20 0.30
BRD4 O60885 1/20 0.30
BRPF1 P55201 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
SCHEMBL389494 0.84 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16953260 0.79
SCHEMBL16955152 0.76 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL16959418 0.75 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16955481 0.75 RORC (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2227610 0.75 KAT6A (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16961172 0.75 KAT6A (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16953301 0.75 FFAR4 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19121471 0.75 GABRA1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10174930 0.75 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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