SCHEMBL8534816

SCHEMBL8534816

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

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.69
MTNR1B P49286 3/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
NQO2 P16083 1/20 0.49
CNR2 P34972 1/20 0.48

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
SCHEMBL830122 0.86 MTNR1A (0.67) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL829359 0.85 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL8610419 0.85 MTNR1A (0.58) MTNR1AMTNR1BHTR2CHTR2BCNR2
SCHEMBL8601175 0.83 MTNR1A (0.50) MTNR1A
SCHEMBL8599310 0.83 MTNR1A (0.48) MTNR1AMTNR1BNQO2
SCHEMBL10856546 0.83 MTNR1A (0.70) MTNR1AMTNR1BHTR2CHTR2BCNR2
SCHEMBL3327762 0.83 MTNR1A (0.70) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL31392475 0.83 MTNR1A (0.70) MTNR1AMTNR1BHTR2CHTR2BCNR2
SCHEMBL31613073 0.82 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL8597245 0.82 HIF1A (0.52) MTNR1A

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