SCHEMBL5226923

SCHEMBL5226923

C=CCOC(=O)Cc1c(CC=C)[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 5/20 0.45
MAPK1 P28482 1/20 0.45
EGFR P00533 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
CASP6 P55212 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL5851002 0.83 KDM4E (0.59) KDM4EHSD17B10MAPK1EGFRLMNA
SCHEMBL28181864 0.77 CHRNB2 (0.43) KDM4EHSD17B10MAPK1EGFRLMNA
SCHEMBL1101269 0.76 ALDH1A1 (0.42) KDM4EHSD17B10MAPK1EGFRLMNA
SCHEMBL2188020 0.72 MAPT (0.72) KDM4ELMNAALDH1A1HPGDMEN1
SCHEMBL8097842 0.72 KDM4E (0.48) KDM4EEGFRLMNAALDH1A1MEN1
SCHEMBL7114553 0.72 KDM4E (0.48) KDM4EEGFRLMNAALDH1A1MEN1
SCHEMBL7114556 0.72 KDM4E (0.48) KDM4EEGFRLMNAALDH1A1MEN1
SCHEMBL19193162 0.71 KDM4E (0.60) KDM4EHSD17B10EGFRLMNAALDH1A1
SCHEMBL20037094 0.71 KDM4E (0.61) KDM4EHSD17B10EGFRLMNAALDH1A1
SCHEMBL10478444 0.71 KDM4E (0.53) KDM4EHSD17B10MAPK1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 WO disclosed