SCHEMBL3662074

SCHEMBL3662074

C[C](C)C[C@@H](N)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 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 1/20 0.44
EPHX1 P07099 1/20 0.42
IDO1 P14902 1/20 0.42
MAPT P10636 1/20 0.41
AGXT P21549 1/20 0.41
TSHR P16473 2/20 0.40
LAP3 P28838 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40

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
SCHEMBL5028959 0.81 SLC1A1 (0.57) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28224391 0.79 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8775968 0.79 SLC1A1 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28225058 0.79 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1870654 0.79 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27549677 0.77 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1829765 0.76 EPHX1 (0.60) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28795432 0.76 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL9066639 0.76 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8043274 0.76 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed