SCHEMBL7636637

SCHEMBL7636637

CCOc1ccc(CNC(C)C(O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
MAPK1 P28482 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
POLB P06746 1/20 0.70
LMNA P02545 3/20 0.66
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CYP1A2 P05177 3/20 0.64
CYP2D6 P10635 3/20 0.64
CYP2C19 P33261 3/20 0.64
KDM4E B2RXH2 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HIF1A Q16665 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD1 P21728 1/20 0.47

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
SCHEMBL7636642 1.00 MEN1 (0.70) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL18472985 0.88 MEN1 (0.84) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL7637479 0.86 MAPK1 (0.69) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL5265860 0.86 MAPK1 (0.69) MEN1KMT2AMAPK1NPSR1POLB
Hydrochloric Acid SCHEMBL29673184 0.84 LMNA (0.72) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL7632049 0.84 LMNA (0.75) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL7632054 0.84 LMNA (0.75) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL7785516 0.83 LMNA (0.79) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL5270097 0.83 LMNA (0.79) MEN1KMT2AMAPK1NPSR1POLB
SCHEMBL7637484 0.83 LMNA (0.79) MEN1KMT2AMAPK1NPSR1POLB

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
US-20020193347-A1 Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method PPG-SIPSY, A CORPORATION OF FRANCE (FR) 2002-12-19 US claimed
US-20020193347-A1 Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method PPG-SIPSY, A CORPORATION OF FRANCE (FR) 2002-12-19 US disclosed