SCHEMBL16959797

SCHEMBL16959797

[CH2]C(CO)c1cc(F)ccc1I

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TRPA1 O75762 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
SCHEMBL16953502 0.83
SCHEMBL16954447 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16960077 0.79 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28982124 0.79 CES2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30295400 0.79 CES2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16959394 0.78 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16952404 0.78 MEN1 (0.31)
SCHEMBL16962259 0.78
SCHEMBL16953422 0.78 PKM (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16961489 0.78 TRPA1 (0.33) TRPA1

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