SCHEMBL8527467

SCHEMBL8527467

CC(=O)c1ccc(C2CCCc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.64
MAPK1 P28482 1/20 0.60
MAPK14 Q16539 1/20 0.60
KMT2A Q03164 2/20 0.56
GID4 Q8IVV7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
XBP1 P17861 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43

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
SCHEMBL7459424 0.91 HAO1 (0.53) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL14360065 0.85 HAO1 (0.64) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL7083547 0.85 HAO1 (0.64) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL7078660 0.85 GID4 (0.60) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL8530757 0.83 HAO1 (0.55) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL20863587 0.81 HAO1 (0.57) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL7059074 0.80 HAO1 (0.57) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL395087 0.79 GID4 (0.62) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL29842306 0.79 GID4 (0.62) HAO1MAPK1MAPK14KMT2AGID4
SCHEMBL11224856 0.79 HAO1 (1.00) HAO1MAPK1MAPK14KMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed
US-4336397-A 2,4-Dioxo-4-substituted-1-butanoic acid derivatives useful in treating urinary tract calcium oxalate lithiasis MERCK & CO., INC. (US) 1982-06-22 US disclosed