SCHEMBL23729332

SCHEMBL23729332

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
HPD P32754 6/20 0.33
CMA1 P23946 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TNKS O95271 3/20 0.32
TNKS2 Q9H2K2 3/20 0.32
AR P10275 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
SCHEMBL23730109 0.89 HPD (0.34) CNR2HPD
SCHEMBL23730135 0.89 HPD (0.40) CNR2HPDKDM4EALDH1A1HPGD
SCHEMBL23729681 0.89 HPD (0.36) CNR2HPD
SCHEMBL23729679 0.87 HPD (0.33) CNR2HPDKDM4EALDH1A1HPGD
SCHEMBL23729701 0.86 HPD (0.39) CNR2HPD
SCHEMBL23730150 0.85 CNR2 (0.32) CNR2HPD
SCHEMBL23729337 0.85 HPD (0.33) CNR2HPDTNKSTNKS2
SCHEMBL23729330 0.85 CNR2 (0.39) CNR2HPDTNKSTNKS2
SCHEMBL23729336 0.84 CNR2 (0.36) CNR2HPDTNKSTNKS2
SCHEMBL23730108 0.84 HPD (0.36) HPDKDM4EALDH1A1HPGD

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