SCHEMBL3402827

SCHEMBL3402827

Cc1ccc(Cl)c(OCCC(C)(C)C(N)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
HPGD P15428 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CYP2C9 P11712 3/20 0.52
MAPK1 P28482 3/20 0.52
CYP2C19 P33261 2/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
ALOX12 P18054 1/20 0.52
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 4/20 0.42
ATM Q13315 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3402829 0.78 MAPT (0.50) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL27798268 0.77 ALDH1A1 (0.51) MAPTHPGDNPSR1CYP2C9CYP2C19
SCHEMBL2500094 0.76 NPSR1 (0.51) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL362031 0.76 NPSR1 (0.51) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL2553248 0.76 NPSR1 (0.51) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL27819494 0.75 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AUSP2NPC1
SCHEMBL10358917 0.75 MAPT (0.65) MAPTL3MBTL1HPGDNPSR1CYP2C9
Hydrochloric Acid SCHEMBL28128014 0.74 L3MBTL1 (0.45) MAPTL3MBTL1POLBALDH1A1MEN1
SCHEMBL13921776 0.73 MAPT (0.67) MAPTL3MBTL1HPGDNPSR1CYP2C9
SCHEMBL15672765 0.72 MAPT (0.53) MAPTL3MBTL1HPGDNPSR1CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932551-A Aminoalkanol derivatives, process for producing aminoalkanols and use thereof UNIV JAGIELLONSKI 2010-12-29 CN claimed
CN-106431941-A DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE 雅盖隆大学 2017-02-22 CN disclosed
CN-101932551-A Aminoalkanol derivatives, process for producing aminoalkanols and use thereof UNIV JAGIELLONSKI 2010-12-29 CN disclosed
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed