SCHEMBL18022707

SCHEMBL18022707

Cc1cc(C)c(C2=C(OC(=O)SC(C)(C)C)CC(Cc3ccccn3)C2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.36
▸ IKBKB O14920 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ NEK1 Q96PY6 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ PKM P14618 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
SCHEMBL16203978 0.90 PDE4D (0.34) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL18022722 0.88 PDE4D (0.37) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL430457 0.88 PDE4D (0.38) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL15001754 0.87 PDE4D (0.36) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL430489 0.85 PDE4D (0.40) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL15001220 0.84 PDE4D (0.38) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL18022717 0.84 PDE4D (0.42) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL15001792 0.83 PDE4D (0.37) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL18022718 0.83 PDE4D (0.37) PDE4DIKBKBPRKAG1PRKAA1NEK1
SCHEMBL15001780 0.83 PDE4D (0.37) PDE4DIKBKBPRKAG1PRKAA1NEK1

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-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 — — EP disclosed
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