SCHEMBL9345909

SCHEMBL9345909

O=C(CCc1ccc(O)c(O)c1)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
HTT P42858 1/20 0.68
ALOX15 P16050 3/20 0.64
CCR5 P51681 2/20 0.63
ERCC1 P07992 3/20 0.62
ERCC4 Q92889 3/20 0.62
GAA P10253 4/20 0.62
SELL P14151 1/20 0.56
SELP P16109 1/20 0.56
SELE P16581 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
GFER P55789 1/20 0.54
APP P05067 1/20 0.54

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
SCHEMBL108603 0.87 ALOX15 (0.67) MAPTALOX15CCR5ERCC1ERCC4
SCHEMBL23072662 0.87 MAPT (0.62) MAPTHTTALOX15CCR5GAA
SCHEMBL14015912 0.84 BCHE (0.72) MAPTERCC1ERCC4GAASELP
SCHEMBL12915848 0.82 MAPT (0.80) MAPTHTTGAALMNATRPV1
SCHEMBL2832908 0.81 CCR5 (0.60) ALOX15CCR5GAA
SCHEMBL6105153 0.81 HCAR2 (0.73) SELPSELE
SCHEMBL3061430 0.81 MAPT (1.00) MAPTHTTGAALMNA
SCHEMBL2833387 0.80 MEN1 (0.57) MAPTALOX15CCR5GAALMNA
SCHEMBL10711009 0.80 MAPT (0.66) MAPTHTTGAALMNATRPV1
SCHEMBL9444668 0.80 ERCC1 (0.89) MAPTERCC1ERCC4GAASELL

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-0333522-B1 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS (JP) 1994-08-17 EP disclosed
US-5232923-A Stimulates production of nerve growth factor; administering for treatment of regressive disorders of the central nervous system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-08-03 US disclosed
EP-0333522-A2 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-20 EP disclosed