SCHEMBL4046507

SCHEMBL4046507

CC(C)(N)CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.57
AAK1 Q2M2I8 2/20 0.39
FFAR1 O14842 1/20 0.36
LPL P06858 9/20 0.36
LIPG Q9Y5X9 9/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
F11 P03951 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL22712556 0.89 DGAT1 (0.59) DGAT1AAK1FFAR1LPLLIPG
SCHEMBL29367270 0.89 DGAT1 (0.59) DGAT1AAK1FFAR1LPLLIPG
SCHEMBL22086013 0.87 DGAT1 (0.60) DGAT1AAK1FFAR1LPLLIPG
SCHEMBL28507142 0.83 DGAT1 (0.55) DGAT1AAK1FFAR1LPLLIPG
SCHEMBL2066133 0.82 DGAT1 (0.56) DGAT1FFAR1LPLLIPGCA1
SCHEMBL25475421 0.81 DGAT1 (0.55) DGAT1AAK1FFAR1LPLLIPG
SCHEMBL1284745 0.81 DGAT1 (0.58) DGAT1FFAR1LPLLIPGCA1
SCHEMBL14863340 0.81 CA1 (0.49) DGAT1AAK1LPLLIPGCA1
SCHEMBL16787846 0.81 DGAT1 (0.69) DGAT1AAK1FFAR1LPLLIPG
SCHEMBL1284321 0.81 DGAT1 (0.55) DGAT1FFAR1LPLLIPGCA1

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
EP-4294811-A2 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2023-12-27 EP disclosed
EP-3350180-A1 8-[6-[3-(AMINO)PROPOXY]-3-PYRIDYL]-1 -ISOPROPYL-IMIDAZO[4,5-C]QUINOLIN-2-ONE DERIVATIVES AS SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2018-07-25 EP disclosed
WO-2017046216-A1 8-[6-[3-(AMINO)PROPOXY]-3-PYRIDYL]-1 -ISOPROPYL-IMIDAZO[4,5-C]QUINOLIN-2-ONE DERIVATIVES AS SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2017-03-23 WO disclosed
EP-3140303-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2017-03-15 EP disclosed
WO-2015170081-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-11-12 WO disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed