SCHEMBL27353135

SCHEMBL27353135

COC(=O)c1cc(OC[C@H](C)NC(=O)OC(C)(C)C)cc2c1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.35
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HPGD P15428 1/20 0.33
SCN9A Q15858 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATR Q13535 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL30995615 1.00 AAK1 (0.35) AAK1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL27353139 0.80 NPC1 (0.37) KDM4EALDH1A1MAPTGAATSHR
SCHEMBL23706743 0.80 L3MBTL1 (0.43) AAK1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL30103023 0.80 L3MBTL1 (0.43) AAK1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL31135593 0.80 L3MBTL1 (0.43) AAK1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL30344057 0.79 MTNR1A (0.43) AAK1MTNR1AMTNR1BATRCA2
SCHEMBL25156080 0.79 MTNR1A (0.43) AAK1MTNR1AMTNR1BATRCA2
SCHEMBL30345018 0.79 MTNR1A (0.43) AAK1MTNR1AMTNR1BATRCA2
SCHEMBL25155900 0.79 MTNR1A (0.43) AAK1MTNR1AMTNR1BATRCA2
SCHEMBL30995629 0.79 ALDH1A1 (0.33) MTNR1AMTNR1BKDM4EALDH1A1MAPT

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
WO-2024126650-A1 NOVEL BICYCLIC-CARBOXAMIDE COMPOUNDS USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 WO disclosed