SCHEMBL8773732

SCHEMBL8773732

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
FDPS P14324 1/20 0.32
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL9861525 0.83 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1482996 0.75 TSHR (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9316331 0.75 CA1 (0.50) CA1NFKB1FDPS
SCHEMBL10825100 0.73
SCHEMBL19115190 0.73 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3127134 0.73
SCHEMBL8014748 0.71
SCHEMBL107486 0.71 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8784336 0.71 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5793444 0.71 TSHR (0.41) TDP1CA1TSHRCYP3A4NFKB1

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-0802904-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed