SCHEMBL13675363

SCHEMBL13675363

CCN(CC)Cc1ccc(CN(CC)CC)c(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
THRB P10828 1/20 0.60
APEX1 P27695 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
MCL1 Q07820 1/20 0.60
HKDC1 Q2TB90 1/20 0.60
PRKCI P41743 1/20 0.55
ACHE P22303 1/20 0.53
JAK2 O60674 1/20 0.50

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
SCHEMBL11266199 0.86 GABRA1 (0.56) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL11596899 0.79 CYP1A2 (0.49) TSHR
SCHEMBL31411955 0.76 GLA (0.45) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL3790259 0.76 KMT2A (0.61) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL16153681 0.75 PRKCI (0.39) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL24129407 0.75 PRKCI (0.66) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL1822448 0.75 PRKCI (0.60) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL31038835 0.75 PRKCI (0.60) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL5805285 0.75 HTT (0.59) POLBKDM4EALDH1A1MEN1MAPT
SCHEMBL11519150 0.75 POLB (0.59) POLBKDM4EALDH1A1MEN1MAPT

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-2009123978-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-10-08 WO disclosed