SCHEMBL14964896

SCHEMBL14964896

CN(C)c1ccc(/C=C(\CO)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAPT P10636 6/20 0.57
KMT2A Q03164 6/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 3/20 0.51
PTGS1 P23219 3/20 0.51
PTGS2 P35354 3/20 0.51
NQO2 P16083 1/20 0.51
RELA Q04206 1/20 0.50
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.46
GFER P55789 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 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
SCHEMBL14964897 1.00 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL14970299 0.87 PTGS1 (0.68) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL3577072 0.82 HDAC3 (0.53) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL3577074 0.82 HDAC3 (0.53) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL3577068 0.82 HDAC3 (0.53) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL9317348 0.79 ALDH1A1 (0.63) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL14570726 0.77 PTGS1 (0.65) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL20400537 0.77 CYP19A1 (0.48) PTGS1PTGS2NQO2KDM4EGLA
SCHEMBL25909565 0.77 PTGS1 (0.65) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL14621297 0.74 NPC1 (0.50) MAPTKMT2ARAB9AMEN1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed
WO-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed