SCHEMBL8536308

SCHEMBL8536308

COC=C(C(=O)OC)c1ccccc1COc1ccc(C2CCCc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
MAPK14 Q16539 1/20 0.48
HAO1 Q9UJM8 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GID4 Q8IVV7 1/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TAOK1 Q7L7X3 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL8538979 0.94 MAPK1 (0.41) MAPK1MAPK14HAO1KDM4E
SCHEMBL8538978 0.94 MAPK1 (0.41) MAPK1MAPK14HAO1KDM4E
SCHEMBL8539312 0.80 MAPK1 (0.43) MAPK1MAPK14HAO1KDM4EGID4
SCHEMBL7462516 0.79 MAPK1 (0.46) MAPK1MAPK14HAO1KDM4EKMT2A
SCHEMBL7172810 0.78 HIF1A (0.50) KDM4EALDH1A1
SCHEMBL9262554 0.78 HIF1A (0.50) KDM4EALDH1A1
SCHEMBL7172808 0.78 HIF1A (0.50) KDM4EALDH1A1
SCHEMBL8529479 0.78 MAPK1 (0.47) MAPK1MAPK14HAO1KDM4EGID4
SCHEMBL11937252 0.78 GFER (0.39) KDM4EKMT2AALDH1A1MEN1
SCHEMBL11937243 0.77 HIF1A (0.40) KDM4EKMT2AMEN1

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-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed