SCHEMBL4604189

SCHEMBL4604189

CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.52
LPL P06858 2/20 0.52
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 2/20 0.40
AOC3 Q16853 3/20 0.40
ALDH1A1 P00352 1/20 0.39
RIPK1 Q13546 2/20 0.39
P4HB P07237 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
SCHEMBL12502667 0.86 LIPG (0.52) LIPGLPLKMT2AMEN1RIPK1
SCHEMBL21437973 0.85 LIPG (0.51) LIPGLPLKMT2AMEN1P4HB
SCHEMBL1684669 0.84 LIPG (0.53) LIPGLPLNPC1RAB9ACA12
SCHEMBL15929315 0.84 LIPG (0.45) LIPGLPLKMT2AMEN1NPC1
SCHEMBL23607748 0.83 LIPG (0.49) LIPGLPLKMT2AMEN1NPC1
SCHEMBL1749553 0.83 LIPG (0.46) LIPGLPLAOC3RIPK1
SCHEMBL29888970 0.83 LIPG (0.60) LIPGLPLALDH1A1
SCHEMBL2587679 0.83 LIPG (0.60) LIPGLPLALDH1A1
Hydrochloric Acid SCHEMBL2006790 0.81 LIPG (0.58) LIPGLPLHPGDALDH1A1
SCHEMBL15929475 0.81 LIPG (0.44) LIPGLPLKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017220431-A1 FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2017-12-28 WO disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
EP-1781274-B1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-11-05 EP disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed