SCHEMBL8848019

SCHEMBL8848019

CCCOC(=O)OCO[C]=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SOAT1 P35610 1/20 0.30

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
SCHEMBL8847635 0.88 ALDH1A1 (0.47) ALDH1A1HCAR2LMNAESR1TSHR
SCHEMBL8847778 0.86 NAAA (0.46) ALDH1A1HCAR2LMNATSHR
SCHEMBL8847793 0.85 NAAA (0.48) ALDH1A1HCAR2LMNATSHR
SCHEMBL1823492 0.83 ALDH1A1 (0.59) ALDH1A1HCAR2LMNATSHRSOAT1
SCHEMBL12262534 0.82 ALDH1A1 (0.48) ALDH1A1HCAR2LMNAESR1CHRM1
Carbon Dioxide SCHEMBL28227882 0.82 ALDH1A1 (0.48) ALDH1A1HCAR2LMNAESR1CHRM1
SCHEMBL17057 0.79 ALDH1A1 (0.56) ALDH1A1HCAR2LMNAESR1CHRM1
SCHEMBL8847725 0.79 CA12 (0.37) ALDH1A1LMNATDP1
SCHEMBL6934821 0.77 ALDH1A1 (0.53) ALDH1A1HCAR2LMNAESR1CHRM1
SCHEMBL13465919 0.77 ALDH1A1 (0.53) ALDH1A1HCAR2LMNAESR1CHRM1

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 15 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
EP-0552765-B1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation THOMAE GMBH DR K (DE) 1996-08-14 EP 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
EP-0547517-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-05-17 EP disclosed
EP-0581166-A1 Benzimidazoles, process for their preparation and their use as angiotensin-II antagonists Dr. Karl Thomae GmbH (DE) 1994-02-02 EP disclosed
EP-0566020-A1 Benzimidazoles, pharmaceutical compositions thereof and processes for their preparation Dr. Karl Thomae GmbH (DE) 1993-10-20 EP disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 EP disclosed
EP-0547517-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1993-06-23 EP disclosed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 EP disclosed