SCHEMBL7003091

SCHEMBL7003091

CCCCCOCc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 2/20 0.37
PLA2G4B P0C869 1/20 0.37
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6999535 0.98 NR5A1 (0.42) NR5A1L3MBTL1TDP1LTA4HPLA2G4B
SCHEMBL6540133 0.98 NR5A1 (0.42) NR5A1L3MBTL1TDP1LTA4HPLA2G4B
SCHEMBL9688098 0.96 MEN1 (0.41) NR5A1L3MBTL1TDP1LTA4HPLA2G4B
SCHEMBL9687974 0.95 MEN1 (0.44) NR5A1L3MBTL1TDP1PLA2G4BMEN1
SCHEMBL990609 0.94 L3MBTL1 (0.39) NR5A1L3MBTL1TDP1LTA4HPLA2G4B
SCHEMBL7299873 0.91 TSHR (0.40) NR5A1L3MBTL1TDP1LTA4HMEN1
SCHEMBL5958235 0.86 TSHR (0.36) L3MBTL1TDP1LTA4H
SCHEMBL7297264 0.83 MEN1 (0.40) NR5A1MEN1THRBHTTKMT2A
SCHEMBL7327631 0.83 ALDH1A1 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL7296533 0.82 NAAA (0.35) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed