SCHEMBL8527040

SCHEMBL8527040

O=C(OCc1cc(C2CCc3ccccc32)ccc1O)c1ccccc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.41
PPARG P37231 1/20 0.38
MAPK1 P28482 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK14 Q16539 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYBB P04839 1/20 0.37
CES2 O00748 1/20 0.36
PIN1 Q13526 2/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
GID4 Q8IVV7 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL29074347 0.73 HSP90AA1 (0.61) PPARGMAPK1HSP90AA1SLC6A2SLC6A3
SCHEMBL28306252 0.73 ALOX15 (0.46) MAPK1PIN1GID4MAPT
SCHEMBL8527058 0.70 MAPK1 (0.41) HAO1MAPK1MAPK14SLC6A2SLC6A3
Benzoic Acid SCHEMBL7032694 0.69 HAO1 (0.44) HAO1MAPK1MAPK14GID4
SCHEMBL4484298 0.69 HAO1 (0.58) HAO1MAPK1MAPK14CES2PIN1
SCHEMBL14289119 0.68 CHRNB2 (0.47) MAPK1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL1871239 0.68 SIGMAR1 (0.47) HAO1MAPK1MAPK14
Bicarbonate SCHEMBL376797 0.68 SIGMAR1 (0.55) HAO1MAPK1MAPK14SLC6A2SLC6A3
SCHEMBL336833 0.68 PPARG (0.63) PPARGMAPK1HSP90AA1SLC6A2SLC6A3
SCHEMBL7454524 0.68 MAPK1 (0.47) HAO1MAPK1MAPK14SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed