SCHEMBL8400499

SCHEMBL8400499

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.58
ERBB2 P04626 2/20 0.58
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 2/20 0.49
ALPL P05186 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 2/20 0.49
ALOX12 P18054 2/20 0.49
MAPK1 P28482 2/20 0.49
THPO P40225 2/20 0.49
BLM P54132 2/20 0.49

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
SCHEMBL8400498 1.00 EGFR (0.58) EGFRERBB2ESR1ESR2MAPT
SCHEMBL8397484 0.87 EGFR (0.62) EGFRERBB2ESR1ESR2MAPT
SCHEMBL249607 0.85 ESR1 (0.69) EGFRERBB2ESR1ESR2MAPT
SCHEMBL8400486 0.84 ESR1 (0.56) EGFRERBB2ESR1ESR2MAPT
SCHEMBL9241983 0.84 ESR1 (0.56) EGFRERBB2ESR1ESR2MAPT
SCHEMBL8401367 0.84 EGFR (0.58) EGFRERBB2ESR1ESR2MAPT
SCHEMBL8398968 0.84 ESR1 (0.56) EGFRERBB2ESR1ESR2MAPT
SCHEMBL8398971 0.84 ESR1 (0.56) EGFRERBB2ESR1ESR2MAPT
SCHEMBL8400487 0.84 ESR1 (0.56) EGFRERBB2ESR1ESR2MAPT
SCHEMBL8401369 0.84 EGFR (0.58) EGFRERBB2ESR1ESR2MAPT

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-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
EP-0640586-A1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-01 EP disclosed