SCHEMBL23730109

SCHEMBL23730109

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPD P32754 7/20 0.34
CNR2 P34972 7/20 0.34
CNR1 P21554 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 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
SCHEMBL23729681 0.93 HPD (0.36) HPDCNR2CNR1ADORA2AADORA2B
SCHEMBL23730135 0.92 HPD (0.40) HPDCNR2ADORA2AADORA2B
SCHEMBL23729332 0.89 CNR2 (0.35) HPDCNR2
SCHEMBL23729679 0.89 HPD (0.33) HPDCNR2CNR1ADORA2AADORA2B
SCHEMBL23729701 0.89 HPD (0.39) HPDCNR2ADORA2AADORA2B
SCHEMBL23729330 0.87 CNR2 (0.39) HPDCNR2
SCHEMBL23729337 0.87 HPD (0.33) HPDCNR2ADORA2AADORA2B
SCHEMBL23729336 0.87 CNR2 (0.36) HPDCNR2ADORA2AADORA2B
SCHEMBL23730108 0.86 HPD (0.36) HPDADORA2AADORA2B
SCHEMBL23730150 0.86 CNR2 (0.32) HPDCNR2

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