SCHEMBL20060306

SCHEMBL20060306

CCC1CCC(=O)C(c2c(F)cc(Br)cc2OCCOC)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
SLC6A4 P31645 2/20 0.32
KIT P10721 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
HTR1A P08908 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
SCHEMBL20060282 0.84
SCHEMBL16269116 0.79 KDM1A (0.40) KDM1ASLC6A4KIT
SCHEMBL20060279 0.72
SCHEMBL20060263 0.71 CA1 (0.31) CA1CA2CA4CA6
SCHEMBL20060316 0.70
SCHEMBL16269432 0.70 TACR1 (0.37) KDM1ACA1CA2CA4CA6
SCHEMBL21985183 0.69 CA1 (0.39) CA1CA2CA4CA6
SCHEMBL18205627 0.69 EGFR (0.34) KDM1ASLC6A4KIT
SCHEMBL16268503 0.68 NPSR1 (0.39) KDM1ACA1CA2CA4CA6
SCHEMBL20060289 0.67 HTR2A (0.38) CA1CA2CA4CA6HTR1A

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