SCHEMBL8569389

SCHEMBL8569389

CC(C)CC(CCO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 5/20 0.54
SLC1A3 P43003 4/20 0.54
SLC1A1 P43005 4/20 0.50
CPA1 P15085 1/20 0.50
MME P08473 4/20 0.47
RNPEP Q9H4A4 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LAP3 P28838 2/20 0.44
ANPEP P15144 1/20 0.44
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL29061429 0.85 SLC1A2 (0.48) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL31544400 0.83 SLC1A2 (0.56) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL276879 0.82 SLC1A3 (0.73) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL2491997 0.81 CHRM1 (0.68) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL9845978 0.81 SLC1A3 (0.55) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL20657135 0.81 SLC1A3 (0.55) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL20657164 0.81 SLC1A3 (0.55) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL1257700 0.80 SLC1A3 (0.58) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL1257697 0.80 SLC1A3 (0.58) SLC1A2SLC1A3SLC1A1CPA1MME
SCHEMBL11764498 0.79 SLC1A3 (0.70) SLC1A2SLC1A3SLC1A1CPA1MME

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-5830936-A THERMAL STABILIZERS FOR POLYOLEFINS AND ENGINEERING PLASTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 US disclosed