SCHEMBL30836767

SCHEMBL30836767

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.42
LIPG Q9Y5X9 13/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
P4HB P07237 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CSF1R P07333 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL15542344 1.00 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL17418959 0.87 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL14746294 0.85 TDP1 (0.46) LPLLIPGCA1CA2CA9
SCHEMBL18332596 0.83 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL25259963 0.82 TYR (0.44) LPLLIPGCA1CA2CA9
SCHEMBL16041705 0.82 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL18981594 0.82 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL15542943 0.81 LIPG (0.45) LPLLIPGCA1CA2CA9
SCHEMBL23714986 0.81 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL2279721 0.80 CA1 (0.43) LPLLIPGCA1CA2CA9

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-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 WO disclosed