SCHEMBL8587013

SCHEMBL8587013

COC(=O)C(=O)c1cccc2ccc(O)cc12.O=C(O)C(=O)c1cccc2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
TRPV1 Q8NER1 10/20 0.44
MTNR1A P48039 2/20 0.44
GFER P55789 1/20 0.42
MTNR1B P49286 1/20 0.42
MCL1 Q07820 1/20 0.41
NQO2 P16083 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8599310 0.94 MTNR1A (0.48) PTPN1TRPV1MTNR1AGFERMTNR1B
SCHEMBL8599659 0.88 PTPN1 (0.54) PTPN1TRPV1MTNR1AGFERMTNR1B
SCHEMBL8674558 0.86 HIF1A (0.44) PTPN1TRPV1MTNR1AGFERMTNR1B
SCHEMBL8610416 0.85 MTNR1A (0.59) PTPN1TRPV1MTNR1AMTNR1BNQO2
SCHEMBL2114008 0.79 CA12 (0.54) PTPN1TRPV1MTNR1AMTNR1BMCL1
SCHEMBL8610419 0.78 MTNR1A (0.58) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8534816 0.78 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL7640335 0.77 PLK1 (0.58) PTPN1KDM4EMEN1MAPTRAB9A
SCHEMBL830122 0.77 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL8597245 0.76 HIF1A (0.52) MTNR1AMAPTRAB9A

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-0819115-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
WO-1996029305-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed