SCHEMBL24680587

SCHEMBL24680587

CC(C)OCc1ccc(B(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.52
LIPG Q9Y5X9 7/20 0.52
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
F11 P03951 1/20 0.45
ENPP2 Q13822 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
MGLL Q99685 1/20 0.43
CSK P41240 1/20 0.38
TSHR P16473 1/20 0.37
TTR P02766 1/20 0.36

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
SCHEMBL649272 0.82 IDO1 (0.44)
SCHEMBL12663141 0.79 LPL (0.43) LPLLIPGCA2CA1F11
SCHEMBL11979782 0.79 TAAR1 (0.50) CA2CA1
SCHEMBL12936619 0.77 LTA4H (0.39) CA2CA1TSHR
SCHEMBL104085 0.77 LPL (0.58) LPLLIPGCA2CA1F11
SCHEMBL1337524 0.76 IDO1 (0.41)
SCHEMBL8750390 0.74 TDP1 (0.40) LPLLIPGCA2TSHR
SCHEMBL12134040 0.74 ACACB (0.39)
SCHEMBL407132 0.74 AGXT (0.54) CA2CA1
SCHEMBL13978537 0.73 LPL (0.59) LPLLIPGCA2CA1F11

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-2022188729-A1 FUSED RING DERIVATIVES USEFUL AS KRAS G12D INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed