SCHEMBL23730108

SCHEMBL23730108

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPD P32754 12/20 0.36
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2A P29274 2/20 0.30
ADORA2B P29275 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23729701 0.89 HPD (0.39) HPDADORA2AADORA2BSMN1; SMN2
SCHEMBL23729679 0.88 HPD (0.33) HPDALDH1A1KDM4EHPGDADORA2A
SCHEMBL23730109 0.86 HPD (0.34) HPDADORA2AADORA2B
SCHEMBL23730135 0.86 HPD (0.40) HPDALDH1A1KDM4EHPGDTSHR
SCHEMBL23729681 0.85 HPD (0.36) HPDADORA2AADORA2B
SCHEMBL23729332 0.84 CNR2 (0.35) HPDALDH1A1KDM4EHPGD
SCHEMBL23729337 0.82 HPD (0.33) HPDADORA2AADORA2B
SCHEMBL23729330 0.82 CNR2 (0.39) HPD
SCHEMBL23729336 0.81 CNR2 (0.36) HPDADORA2AADORA2B
SCHEMBL23729698 0.79 HPD (0.38) HPDADORA2AADORA2B

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