SCHEMBL4470992

SCHEMBL4470992

[CH2]c1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.69
LPL P06858 12/20 0.69
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
F11 P03951 2/20 0.44
ESR2 Q92731 1/20 0.41
SNCA P37840 1/20 0.40
P4HB P07237 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 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
SCHEMBL16209769 0.94 LIPG (0.59) LIPGLPLCA1CA2CA9
SCHEMBL2707320 0.89 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL24608995 0.89 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL28389622 0.83 LIPG (0.88) LIPGLPLCA1CA2CA9
SCHEMBL12681706 0.83 LIPG (0.74) LIPGLPLCA1CA2CA9
SCHEMBL228212 0.82 LPL (0.71) LIPGLPLCA1CA2CA9
SCHEMBL4470995 0.82 LIPG (0.71) LIPGLPLCA1CA2CA9
SCHEMBL10021061 0.82 LIPG (1.00) LIPGLPLCA1CA2CA9
SCHEMBL476870 0.82 LIPG (1.00) LIPGLPLCA1CA2CA9
SCHEMBL18134357 0.82 LIPG (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO disclosed