SCHEMBL27353109

SCHEMBL27353109

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
LPL P06858 13/20 0.37
LIPG Q9Y5X9 13/20 0.37
MAPK1 P28482 1/20 0.33
F11 P03951 1/20 0.33
ESR2 Q92731 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL27248133 0.84 P2RX7 (0.37) P2RX7LPLLIPGMAPK1F11
SCHEMBL29507141 0.79 MAOA (0.33) P2RX7LPLLIPGMAPK1
SCHEMBL22858965 0.79 MAOA (0.33) P2RX7LPLLIPGMAPK1
SCHEMBL22859117 0.79 CYP1A2 (0.36) P2RX7LPLLIPGMAPK1
SCHEMBL29507173 0.79 CYP1A2 (0.36) P2RX7LPLLIPGMAPK1
SCHEMBL31394760 0.79 LPL (0.34) P2RX7LPLLIPGMAPK1
SCHEMBL4994448 0.78 LPL (0.33) P2RX7LPLLIPG
SCHEMBL26625760 0.77 P2RX7 (0.34) P2RX7LPLLIPGF11
SCHEMBL22859114 0.76 PNMT (0.35) LPLLIPG
SCHEMBL27353114 0.76 ALDH1A1 (0.37) P2RX7ESR2MEN1KMT2A

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