SCHEMBL8772011

SCHEMBL8772011

COc1cc(OC)cc(OCC(C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
AAK1 Q2M2I8 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL8772001 0.81 TSHR (0.32) AAK1HPGD
SCHEMBL8771956 0.81 GHSR (0.33) KMT2AHPGD
SCHEMBL8772017 0.81 MMP2 (0.46) HPGD
SCHEMBL8772008 0.80 GPR119 (0.40)
SCHEMBL8771998 0.79 GAA (0.44)
SCHEMBL8771782 0.79 ADRB3 (0.31) AAK1
SCHEMBL8771907 0.77 TSHR (0.37)
SCHEMBL8772004 0.72 MMP2 (0.45) HPGD
SCHEMBL8771913 0.71 MMP2 (0.46) HPGD
SCHEMBL8771761 0.71 MMP2 (0.44) HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed