SCHEMBL7142825

SCHEMBL7142825

CCC(C)CC(C)CC(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
TP53 P04637 1/20 0.35
ENPEP Q07075 1/20 0.34
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
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL9357548 0.95 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL1682325 0.95 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL30019003 0.87 TP53 (0.44) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL5738809 0.83 NAALAD2 (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL1684036 0.83 NAALAD2 (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL5879035 0.83 NAALAD2 (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL1682356 0.79 ACE2 (0.47) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL21578367 0.79 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL26471760 0.79 SLC7A5 (0.58) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL15629139 0.78 TSHR (0.38) TDP1MAPK1ALDH1A1

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-6511942-B1 Animal husbandry, veterinary medicine BAYER AKTIENGESELLSCHAFT (DE) 2003-01-28 US disclosed