SCHEMBL15217709

SCHEMBL15217709

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.56
SLC1A2 P43004 4/20 0.56
SLC1A1 P43005 3/20 0.56
CA2 P00918 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
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
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL14224981 0.95 SLC1A2 (0.60) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL15217711 0.87 SLC1A2 (0.68) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL13317543 0.87 SLC1A2 (0.68) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL14305087 0.87 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL751062 0.84 SLC1A2 (0.71) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL14037696 0.82 SLC1A2 (0.52) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL4856341 0.82 SLC1A2 (0.68) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL16076980 0.79 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL10123740 0.79 SLC1A2 (0.54) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL15677325 0.78 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1CA2MAPK1

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-20130224866-A1 MEDICAL FLUID ACCESS DEVICE WITH ANTISEPTIC INDICATOR BAXTER HEALTHCARE S.A. (CH) 2013-08-29 US disclosed