SCHEMBL29169983

SCHEMBL29169983

CC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.41
LPL P06858 7/20 0.41
F11 P03951 3/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
P4HB P07237 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL17939968 0.83 LIPG (0.42) LIPGLPLP4HBCA1CA2
SCHEMBL16828504 0.81 CA1 (0.48) LIPGLPLF11F2PRSS1
SCHEMBL1163798 0.81 F11 (0.44) LIPGLPLF11F2PRSS1
SCHEMBL855958 0.79 F11 (0.43) LIPGLPLF11F2PRSS1
SCHEMBL15995371 0.79 F11 (0.46) LIPGLPLF11F2PRSS1
SCHEMBL30416445 0.79 F11 (0.46) LIPGLPLF11F2PRSS1
SCHEMBL8260905 0.78 LIPG (0.41) LIPGLPLF11F2PRSS1
SCHEMBL20364048 0.78 LPL (0.46) LIPGLPLF11CA1CA2
SCHEMBL428319 0.78 F11 (0.44) LIPGLPLF11F2PRSS1
SCHEMBL17042803 0.77 CSF1R (0.44) LIPGLPLF11F2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005619-A Process for producing heterocyclic compound 武田药品工业株式会社 2024-05-10 CN disclosed
CN-110753689-B Process for producing heterocyclic compound 武田药品工业株式会社 2024-01-26 CN disclosed