SCHEMBL3401477

SCHEMBL3401477

Cc1cc(Cl)ccc1OCCC[C@H](O)CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 1/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SCN4A P35499 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3401217 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL773261 0.84 ALOX15 (0.59) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL26758033 0.80 KDM4E (0.55) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL22135588 0.79 KDM4E (0.64) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL3403010 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL3525710 0.78 ALDH1A1 (0.57) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL25261375 0.77 KDM4E (0.61) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL3401146 0.75 GAA (0.50) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL8295970 0.75 KDM4E (0.59) ALDH1A1KDM4ETP53ALOX15GAA
SCHEMBL8347835 0.75 KDM4E (0.59) ALDH1A1KDM4ETP53ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed
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