SCHEMBL20028832

SCHEMBL20028832

CC(OCc1ccccc1)N(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MAPT P10636 1/20 0.42
ALOX5 P09917 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RCE1 Q9Y256 1/20 0.41
AOC3 Q16853 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 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
SCHEMBL10782592 0.84 TSHR (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL11675406 0.79 TSHR (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27705296 0.79 ADRA2B (0.42) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL4505788 0.78 RCE1 (0.39) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8614055 0.77 BCHE (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL11465303 0.77 TSHR (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL4739017 0.77 MAOB (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL12225126 0.77 MEN1 (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL9057851 0.76 BCHE (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL14199725 0.75 TSHR (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO disclosed