SCHEMBL24326281

SCHEMBL24326281

Cc1cccc(-c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.58
LPL P06858 13/20 0.58
PGR P06401 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ENPP3 O14638 1/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 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
SCHEMBL23956366 0.91 LIPG (0.69) LIPGLPLPGRENPP3CA1
SCHEMBL21838408 0.86 LIPG (0.67) LIPGLPLCA1CA2CA9
SCHEMBL24531331 0.86 LIPG (0.67) LIPGLPLCA1CA2CA9
SCHEMBL16532853 0.86 LIPG (0.71) LIPGLPLCA1CA2CA9
SCHEMBL15870855 0.85 LIPG (0.80) LIPGLPLCA1CA2CA9
SCHEMBL20799862 0.85 LIPG (0.80) LIPGLPLCA1CA2CA9
SCHEMBL23593174 0.85 LIPG (0.80) LIPGLPLCA1CA2CA9
SCHEMBL1963035 0.85 LIPG (0.59) LIPGLPLCA1CA2CA9
SCHEMBL15613697 0.85 LIPG (0.80) LIPGLPLCA1CA2CA9
SCHEMBL19949645 0.85 LIPG (0.80) LIPGLPLCA1CA2CA9

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
US-20220119590-A1 POLYMERS WITH AMINE-GROUP-CONTAINING REPEATING UNITS MERCK PATENT GMBH (DE) 2022-04-21 US disclosed