SCHEMBL8400644

SCHEMBL8400644

N#CC(=Cc1cc(O)c(O)c(O)c1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.57
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 4/20 0.51
ALOX12 P18054 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
BLM P54132 2/20 0.51
EGFR P00533 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RGS12 O14924 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 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
SCHEMBL8400643 1.00 NQO2 (0.57) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL9280711 0.87 ESR1 (0.53) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL8397481 0.86 ALDH1A1 (0.56) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL8397482 0.86 ALDH1A1 (0.56) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL13485321 0.83 ESR1 (0.69) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL8400487 0.79 ESR1 (0.56) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL8400486 0.79 ESR1 (0.56) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL27983745 0.78 ESR1 (0.58) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL364138 0.77 MAPT (0.58) NQO2ESR1ESR2MAPTNPSR1
SCHEMBL364137 0.77 MAPT (0.58) NQO2ESR1ESR2MAPTNPSR1

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