SCHEMBL8397486

SCHEMBL8397486

N#CC(=Cc1ccc(O)c(O)c1)c1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
BLM P54132 6/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
HPGD P15428 5/20 0.56
TP53 P04637 4/20 0.56
CYP1A2 P05177 4/20 0.56
HSD17B10 Q99714 4/20 0.56
CYP3A4 P08684 3/20 0.56
ALOX15 P16050 3/20 0.56
ALOX12 P18054 3/20 0.56
MAPK1 P28482 3/20 0.56
PMP22 Q01453 3/20 0.56
HIF1A Q16665 3/20 0.56
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL8397485 1.00 EGFR (0.56) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL9241983 0.91 ESR1 (0.56) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL8397484 0.87 EGFR (0.62) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL8397482 0.84 ALDH1A1 (0.56) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL8397481 0.84 ALDH1A1 (0.56) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL8397014 0.81 NQO2 (0.69) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL8397013 0.81 NQO2 (0.56) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL12866173 0.81 ALDH1A1 (0.65) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL8397015 0.81 NQO2 (0.69) EGFRMEN1KMT2ABLMKDM4E
SCHEMBL8397012 0.81 NQO2 (0.56) EGFRMEN1KMT2ABLMKDM4E

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
EP-0640586-B1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 1999-06-09 EP disclosed
US-5589506-A ENZYME INHIBITORS FOR LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-12-31 US disclosed