SCHEMBL5823545

SCHEMBL5823545

C=CCN(CC=C)Cc1cc(O)c(CN(CC=C)CC=C)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 3/20 0.56
THRB P10828 2/20 0.56
HKDC1 Q2TB90 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HTT P42858 2/20 0.56
APEX1 P27695 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
MCL1 Q07820 1/20 0.56
GAA P10253 2/20 0.48
G6PD P11413 1/20 0.48
PABPC1 P11940 1/20 0.48

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
SCHEMBL9418481 0.82 XDH (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL11634292 0.81 APAF1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL9278395 0.81 AMY1A (0.49) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL10445566 0.79 PRKCI (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1907547 0.78 APAF1 (0.49) ALDH1A1KDM4EMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9593006 0.78 ACHE (0.51) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL9418482 0.77 OPRM1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4942839 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL11635696 0.77 APAF1 (0.38) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL9591942 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A

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-2006110961-A2 NOVEL CORROSION INHIBITING MATERIALS A J SCIENTIFIC PTY LTD (AU) 2006-10-26 WO disclosed