SCHEMBL16958459

SCHEMBL16958459

C[C](CO)c1cc(C#N)cc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.40
▸ ALB P02768 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GSK3B P49841 3/20 0.34
▸ GPR35 Q9HC97 1/20 0.32
▸ NOS3 P29474 2/20 0.31
▸ NOS1 P29475 2/20 0.31
▸ CYP2A6 P11509 2/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL16959079 0.88 TTR (0.35) TTRALBALDH1A1MAPTMEN1
SCHEMBL16953825 0.88 FFAR4 (0.34) TTRALBALDH1A1MAPT
SCHEMBL16958193 0.87 — —
SCHEMBL16960523 0.87 TTR (0.38) TTRALBALDH1A1MAPTMEN1
SCHEMBL16951138 0.87 TTR (0.42) TTRALBALDH1A1MAPTMEN1
SCHEMBL16951966 0.85 PDE4A (0.38) ALDH1A1MAPT
SCHEMBL16953129 0.85 CYP2A6 (0.41) TTRALBALDH1A1MAPTCYP2A6
SCHEMBL16958835 0.84 SIRT2 (0.33) TTRALBALDH1A1MAPTMEN1
SCHEMBL16960119 0.84 KIF11 (0.37) TTRALBALDH1A1MAPT
SCHEMBL16950459 0.82 RXRA (0.42) MRGPRX4

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
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