SCHEMBL27353114

SCHEMBL27353114

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
PTPN7 P35236 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 2/20 0.34
ACHE P22303 4/20 0.33

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
SCHEMBL12215718 0.79 PARP1 (0.38) ALDH1A1MAPTHIF1AKDM4EDGAT1
SCHEMBL17798882 0.78 ESR1 (0.43) ESR2DGAT1ROCK1
SCHEMBL27248133 0.76 P2RX7 (0.37) KMT2AMEN1HIF1AP2RX7ROCK1
SCHEMBL27353109 0.76 P2RX7 (0.39) KMT2AMEN1ESR2P2RX7
SCHEMBL23599865 0.75 DGAT1 (0.34) TP53MAPTL3MBTL1HIF1ADGAT1
SCHEMBL18585389 0.75 LIPG (0.36) MAPTHIF1ADGAT1ROCK1
SCHEMBL27096456 0.75 PTGS2 (0.39) ALDH1A1HSD17B10TP53KMT2AMAPT
SCHEMBL3416598 0.74 HIF1A (0.43) HIF1ADGAT1ROCK1
SCHEMBL20993476 0.74 ALDH1A1 (0.38) ALDH1A1HSD17B10TP53KMT2AMAPT
SCHEMBL25035049 0.74 HIF1A (0.43) ALDH1A1HSD17B10MAPTHIF1AKDM4E

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