SCHEMBL7669472

SCHEMBL7669472

COC(=O)C1CCCC(=O)C1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
THRB P10828 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL27507238 0.89 CHRM2 (0.40) SLC6A2CHRM2CHRM4CHRM3CYP1A2
SCHEMBL3974808 0.81 CYP1A2 (0.41) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL15903376 0.80 SLC6A2 (0.37) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL9501590 0.77 CA1 (0.39) CA1CA2CA4KMT2A
SCHEMBL374935 0.75 MAPK1 (0.47) THRBCA1CA2CA4KDM4E
SCHEMBL25061 0.75 MAPK1 (0.47) THRBCA1CA2CA4KDM4E
SCHEMBL31276435 0.75 MAPK1 (0.47) THRBCA1CA2CA4KDM4E
SCHEMBL29127898 0.74 ALDH1A1 (0.44) THRBCA1CA2CA4KDM4E
SCHEMBL19104463 0.74 ALDH1A1 (0.44) THRBCA1CA2CA4KDM4E
SCHEMBL31198171 0.73 MAPK1 (0.46) THRBCA1CA2CA4KDM4E

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
US-6352959-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed