SCHEMBL8397013

SCHEMBL8397013

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.56
PTGS2 P35354 2/20 0.56
EGFR P00533 10/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 5/20 0.51
BLM P54132 5/20 0.51
TP53 P04637 4/20 0.51
CYP1A2 P05177 4/20 0.51
HSD17B10 Q99714 4/20 0.51
CYP3A4 P08684 3/20 0.51
ALOX15 P16050 3/20 0.51
ALOX12 P18054 3/20 0.51
MAPK1 P28482 3/20 0.51
PMP22 Q01453 3/20 0.51
HIF1A Q16665 3/20 0.51
ESR1 P03372 2/20 0.51

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
SCHEMBL8397012 1.00 NQO2 (0.56) NQO2PTGS2EGFRMEN1KMT2A
SCHEMBL9245474 0.91 PTGS2 (0.63) NQO2PTGS2EGFRMEN1KMT2A
SCHEMBL21517807 0.86 ESR1 (0.62) NQO2PTGS2MEN1KMT2AKDM4E
SCHEMBL24236835 0.86 ESR1 (0.62) NQO2PTGS2MEN1KMT2AKDM4E
SCHEMBL248048 0.86 ESR1 (0.62) NQO2PTGS2MEN1KMT2AKDM4E
SCHEMBL3430503 0.85 ESR1 (0.50) NQO2PTGS2ALDH1A1MAPTHPGD
SCHEMBL8397484 0.83 EGFR (0.62) NQO2EGFRMEN1KMT2AKDM4E
SCHEMBL3430983 0.83 ESR1 (0.47) NQO2PTGS2ALDH1A1MAPTHPGD
SCHEMBL3430554 0.83 ESR1 (0.47) NQO2PTGS2ALDH1A1MAPTHPGD
SCHEMBL10050783 0.82 ESR1 (0.57) NQO2PTGS2ALDH1A1MAPTTP53

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