SCHEMBL8599659

SCHEMBL8599659

O=C(O)C(=O)c1cccc2ccc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.54
TRPV1 Q8NER1 7/20 0.48
GFER P55789 1/20 0.47
MCL1 Q07820 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL8587013 0.88 PTPN1 (0.45) PTPN1TRPV1GFERMCL1KDM4E
SCHEMBL8610416 0.87 MTNR1A (0.59) PTPN1TRPV1MEN1KMT2AMTNR1A
SCHEMBL371705 0.85 NR4A1 (0.62) PTPN1TRPV1GFERMCL1NR4A1
Hydrochloric Acid SCHEMBL3923691 0.84 NR4A1 (0.60) PTPN1TRPV1GFERMCL1NR4A1
SCHEMBL9057192 0.81 MEN1 (0.47) PTPN1NR4A1NR4A2NR4A3KDM4E
SCHEMBL8599310 0.80 MTNR1A (0.48) PTPN1TRPV1GFERMCL1KDM4E
SCHEMBL8598937 0.80 PTPN1 (0.49) PTPN1TRPV1GFERMCL1NR4A1
SCHEMBL3347252 0.80 KDM4E (0.62) PTPN1TRPV1GFERMCL1KDM4E
SCHEMBL3923684 0.80 PTPN1 (0.48) PTPN1TRPV1GFERMCL1KDM4E
SCHEMBL1600502 0.79 NR4A1 (0.69) PTPN1NR4A1NR4A2NR4A3KDM4E

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-0819111-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
WO-1996029301-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed