SCHEMBL16958724

SCHEMBL16958724

C=[C]c1cccc(OC(C)(C)C)c1CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16954088 0.85 FFAR1 (0.34) KCNH2KDM4E
SCHEMBL16960296 0.81 KDM4E (0.39) KDM4E
SCHEMBL16953165 0.80 KCNH2 (0.33) KCNH2
SCHEMBL16957756 0.79 ALDH1A1 (0.40) KDM4E
SCHEMBL16958350 0.78 ELANE (0.37)
SCHEMBL16959594 0.78 L3MBTL1 (0.34) KCNH2
SCHEMBL16957781 0.77 KCNH2 (0.35) KCNH2
SCHEMBL16953562 0.77 KCNH2 (0.35) KCNH2
SCHEMBL16953285 0.77 MCHR1 (0.34) KDM4E
SCHEMBL16963367 0.77 MCHR1 (0.39) KCNH2KDM4E

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