SCHEMBL8847571

SCHEMBL8847571

CC(OC=O)OC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HCAR2 Q8TDS4 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSB P07858 2/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8848171 0.85 CTSK (0.47) ALDH1A1HCAR2MAPK1L3MBTL1TDP1
SCHEMBL7558758 0.83 CTSK (0.50) ALDH1A1KMT2ALMNA
SCHEMBL16809085 0.83 ALDH1A1 (0.53) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL16805831 0.81 ALDH1A1 (0.51) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL8773535 0.80 ALDH1A1 (0.58) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL24297824 0.80 ALDH1A1 (0.53) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL28973567 0.80 ALDH1A1 (0.53) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL10645330 0.79 ALDH1A1 (0.56) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL10645335 0.79 ALDH1A1 (0.56) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2
SCHEMBL8847568 0.79 ALDH1A1 (0.49) ALDH1A1HCAR2MAPK1L3MBTL1SLC6A2

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
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed