SCHEMBL23729330

SCHEMBL23729330

CCCn1c(=O)c2c(C)c(C(=O)C3=C(O)CCCC3=O)ccc2n(CC2CC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
TNKS O95271 6/20 0.36
TNKS2 Q9H2K2 6/20 0.36
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CRHR1 P34998 4/20 0.33
CRHR2 Q13324 3/20 0.33
HPD P32754 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL23729336 0.97 CNR2 (0.36) CNR2TNKSTNKS2PDE5APDE4A
SCHEMBL23730135 0.89 HPD (0.40) CNR2HPD
SCHEMBL23730109 0.87 HPD (0.34) CNR2HPD
SCHEMBL23729681 0.87 HPD (0.36) CNR2HPD
SCHEMBL23729701 0.86 HPD (0.39) CNR2HPD
SCHEMBL23729339 0.86 CNR2 (0.38) CNR2TNKSTNKS2PDE5APDE4A
SCHEMBL23729679 0.85 HPD (0.33) CNR2HPD
SCHEMBL23729337 0.85 HPD (0.33) CNR2TNKSTNKS2HPD
SCHEMBL23729332 0.85 CNR2 (0.35) CNR2TNKSTNKS2HPD
SCHEMBL23730150 0.83 CNR2 (0.32) CNR2HPD

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-3858818-A1 TRIKETONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF, AND HERBICIDE Shandong Cynda Chemical Co., LTD. (CN) 2021-08-04 EP disclosed