SCHEMBL17444737

SCHEMBL17444737

CCCCCCC/C(C=O)=C\c1cccc(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.64
▸ LMNA P02545 1/20 0.62
▸ PDCD1 Q15116 1/20 0.48
▸ CD274 Q9NZQ7 1/20 0.48
▸ FBP1 P09467 3/20 0.44
▸ P4HB P07237 8/20 0.43
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ GRIN2D O15399 2/20 0.37
▸ GRIN3B O60391 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ GRIN2C Q14957 2/20 0.37
▸ GRIN3A Q8TCU5 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL20424334 0.84 TDP1 (0.67) TDP1LMNAFBP1
SCHEMBL20424336 0.84 TDP1 (0.67) TDP1LMNAFBP1
SCHEMBL30367275 0.80 TDP1 (0.69) TDP1LMNA
SCHEMBL113171 0.79 TDP1 (1.00) TDP1LMNA
SCHEMBL2941510 0.79 TDP1 (1.00) TDP1LMNA
SCHEMBL3398189 0.79 TDP1 (1.00) TDP1LMNA
SCHEMBL10964293 0.79 TDP1 (1.00) TDP1LMNA
SCHEMBL9019322 0.79 TDP1 (1.00) TDP1LMNA
SCHEMBL113170 0.79 TDP1 (1.00) TDP1LMNA
SCHEMBL12469222 0.77 LMNA (1.00) TDP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2899189-B1 Method for the catalytic production of unsaturated aldehydes EVONIK DEGUSSA GMBH (DE) 2017-05-10 — — EP disclosed
US-9238607-B1 Process for the catalytic production of unsaturated aldehydes EVONIK INDUSTRIES AG (DE) 2016-01-19 — — US disclosed
US-9238607-B1 Process for the catalytic production of unsaturated aldehydes EVONIK INDUSTRIES AG (DE) 2016-01-19 — — US disclosed
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