SCHEMBL6232780

SCHEMBL6232780

CC1(C)CCC(C(=O)O)(C(N)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 7/20 0.49
SLC1A2 P43004 6/20 0.49
SLC1A3 P43003 4/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
LTA4H P09960 1/20 0.36
LAP3 P28838 1/20 0.35
IDO1 P14902 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL4866933 0.87 SLC1A1 (0.53) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL4866841 0.86 SLC1A1 (0.51) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL4532053 0.86 SLC1A1 (0.51) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL6237656 0.78 SLC1A1 (0.47) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL26961850 0.77 SLC1A2 (0.46) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL6235897 0.75 SLC1A2 (0.43) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL4150368 0.72 SLC1A3 (0.49) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL21046167 0.71 SLC1A3 (0.44) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL15111175 0.71 SLC1A3 (0.41) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL29067369 0.70 ALDH1A1 (0.49) SLC1A1SLC1A2SLC1A3MEN1CYP1A2

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
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed