SCHEMBL23714871

SCHEMBL23714871

CCCCc1ccc(N(c2ccc(B3CC(C)(C)C(C)(C)O3)cc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.60
LPL P06858 10/20 0.60
F11 P03951 2/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 2/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL4366887 0.88 LIPG (0.77) LIPGLPLF11F2PRSS1
SCHEMBL13874204 0.88 LIPG (0.77) LIPGLPLF11F2PRSS1
SCHEMBL19074966 0.88 LIPG (0.77) LIPGLPLF11F2PRSS1
SCHEMBL23966746 0.84 LIPG (0.71) LIPGLPLF11F2PRSS1
SCHEMBL4151754 0.84 LIPG (0.71) LIPGLPLF11F2PRSS1
SCHEMBL12669159 0.84 LIPG (0.71) LIPGLPLF11F2PRSS1
SCHEMBL21310629 0.84 LPL (0.85) LIPGLPLF11F2PRSS1
SCHEMBL15965430 0.82 LPL (0.86) LIPGLPLF11F2PRSS1
SCHEMBL12890200 0.82 LPL (0.86) LIPGLPLF11F2PRSS1
SCHEMBL10071632 0.82 LIPG (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3859806-A1 ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC ELEMENT Showa Denko Materials Co., Ltd. (JP) 2021-08-04 EP disclosed