SCHEMBL20060263

SCHEMBL20060263

CC#Cc1cc(F)c(C2C(=O)CCC(CC)C2=O)c(OC)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
HTR2A P28223 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
SCHEMBL21985648 0.92 HTR2A (0.33) CA1CA2CA4CA6HTR2A
SCHEMBL20060233 0.91
SCHEMBL20060279 0.90
SCHEMBL20060282 0.89
SCHEMBL20060289 0.88 HTR2A (0.38) CA1CA2CA4CA6HTR2A
SCHEMBL20060316 0.88
SCHEMBL21985638 0.86 HTR2A (0.32) HTR2A
SCHEMBL16271897 0.84 PPOX (0.30)
SCHEMBL20060262 0.83
SCHEMBL16271870 0.81 PPOX (0.32) CA1CA2CA4CA6

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-3004052-B1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-04-18 EP disclosed