SCHEMBL8599310

SCHEMBL8599310

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
TRPV1 Q8NER1 9/20 0.46
MTNR1B P49286 1/20 0.46
MCL1 Q07820 1/20 0.45
PTPN1 P18031 2/20 0.44
NQO2 P16083 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
GFER P55789 1/20 0.43
DEGS1 O15121 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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 0.94 PTPN1 (0.45) MTNR1ATRPV1MTNR1BMCL1PTPN1
SCHEMBL8674558 0.86 HIF1A (0.44) MTNR1ATRPV1MTNR1BPTPN1RAB9A
SCHEMBL2114008 0.84 CA12 (0.54) MTNR1ATRPV1MTNR1BMCL1PTPN1
SCHEMBL8610419 0.83 MTNR1A (0.58) MTNR1ATRPV1MTNR1BMEN1KMT2A
SCHEMBL8534816 0.83 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL7640335 0.82 PLK1 (0.58) PTPN1RAB9AKDM4EMEN1MAPT
SCHEMBL8599659 0.80 PTPN1 (0.54) MTNR1ATRPV1MTNR1BMCL1PTPN1
SCHEMBL8610416 0.79 MTNR1A (0.59) MTNR1ATRPV1MTNR1BPTPN1NQO2
SCHEMBL8597245 0.77 HIF1A (0.52) MTNR1ARAB9AMAPTNPC1
SCHEMBL371705 0.76 NR4A1 (0.62) TRPV1MCL1PTPN1GFER

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