SCHEMBL6237656

SCHEMBL6237656

C[C@@H]1C[C@H](C)CC(C(=O)O)(C(N)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 5/20 0.47
SLC1A2 P43004 4/20 0.47
SLC1A3 P43003 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTR2C P28335 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.34
FAAH O00519 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL6235897 0.80 SLC1A2 (0.43) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL4866933 0.79 SLC1A1 (0.53) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL6232780 0.78 SLC1A1 (0.49) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL4532053 0.78 SLC1A1 (0.51) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL4866841 0.78 SLC1A1 (0.51) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL6237219 0.69 ALDH1A1 (0.44) KMT2AALDH1A1HTR2CLMNA
SCHEMBL26961850 0.69 SLC1A2 (0.46) SLC1A1SLC1A2SLC1A3MEN1CYP1A2
SCHEMBL4871791 0.68 HTR2C (0.39) MEN1KMT2AEPHX2ALDH1A1HTR2C
SCHEMBL4866087 0.68 EPHX2 (0.45) EPHX2ALDH1A1HTR2CFAAHCNR2
SCHEMBL6237225 0.68 HTR2C (0.39) MEN1KMT2AEPHX2ALDH1A1HTR2C

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