SCHEMBL8087347

SCHEMBL8087347

CCC(CC1OCCS1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 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
SCHEMBL9707637 0.75 SLC7A5 (0.36) SLC1A1
SCHEMBL2399882 0.72 USP2 (0.42) CHRM1HTR2ADRD3
SCHEMBL2397125 0.72 USP2 (0.42) CHRM1HTR2ADRD3
SCHEMBL1716814 0.72 USP2 (0.42) CHRM1HTR2ADRD3
SCHEMBL2183962 0.72 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL21218827 0.72 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL1176739 0.72 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL5363943 0.72 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL10378555 0.72 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL1176736 0.72 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051480-A2 ENZYME ACTIVATED SUPPORTS FOR ENANTIOMERIC SEPARATIONS Pharm-Eco Laboratoires, Incorporated (US) 2000-11-15 EP disclosed
WO-1999037754-A2 ENZYME ACTIVATED SUPPORTS FOR ENANTIOMERIC SEPARATIONS PHARM-ECO LABORATORIES, INC. (US) 1999-07-29 WO disclosed