SCHEMBL11519150

SCHEMBL11519150

CCN(CC)Cc1cc(C)cc(CN(CC)CC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 2/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
APEX1 P27695 1/20 0.59
RECQL P46063 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
KMT2A Q03164 1/20 0.59
MCL1 Q07820 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
PRKCI P41743 1/20 0.50
ACHE P22303 1/20 0.48
JAK2 O60674 1/20 0.46

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
SCHEMBL15383502 0.85 AMY1A (0.61) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL14174807 0.84 ERN1 (0.47) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL6914086 0.83 MAPT (0.46) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL24129407 0.83 PRKCI (0.66) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL5805285 0.83 HTT (0.59) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL18776378 0.82 MAPT (0.52) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL6827804 0.82 ALDH1A1 (0.59) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL1682342 0.81 MAPT (0.44) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL11819242 0.79 ALDH1A1 (0.47) POLBALDH1A1MAPK1HTTKDM4E
SCHEMBL6266901 0.79 POLB (0.67) POLBALDH1A1MAPK1HTTKDM4E

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
US-4155847-A Cationic polymer flocculant prepared by reacting epichlorohydrin and a Mannich reaction product MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1979-05-22 US disclosed