SCHEMBL9861525

SCHEMBL9861525

CCCC([C]=O)C(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL4270789 0.87 CA2 (0.38) CA1FDPS
SCHEMBL15618337 0.84 MAPT (0.46) CA1FDPS
SCHEMBL5003922 0.84 MAPT (0.46) CA1FDPS
SCHEMBL15618311 0.84 MAPT (0.46) CA1FDPS
SCHEMBL8773732 0.83 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14639213 0.81 TSHR (0.30) TSHR
SCHEMBL10825100 0.76
SCHEMBL3127134 0.76
SCHEMBL8784336 0.74 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8014748 0.74

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983208-A Plant diseases, cereal crops BAYER AKTIENGESELLSCHAFT (DE) 1991-01-08 US claimed
EP-4396173-A1 HERBICIDAL MALONAMIDES CONTAINING A CONDENSED RING SYSTEM BASF SE (DE) 2024-07-10 EP disclosed
EP-4396163-A1 HERBICIDAL MALONAMIDES CONTAINING MONOCYCLIC HETEROAROMATIC RINGS BASF SE (DE) 2024-07-10 EP disclosed
WO-2023031199-A1 HERBICIDAL MALONAMIDES CONTAINING MONOCYCLIC HETEROAROMATIC RINGS BASF SE (DE) 2023-03-09 WO disclosed
WO-2023031200-A1 HERBICIDAL MALONAMIDES CONTAINING A CONDENSED RING SYSTEM BASF SE (DE) 2023-03-09 WO disclosed
WO-2019016385-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2019-01-24 WO disclosed
WO-2018234371-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-12-27 WO disclosed