SCHEMBL7004790

SCHEMBL7004790

CCCCCCOP(=O)(Cc1cc[c]cc1)OCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 6/20 0.43
▸ LPAR2 Q9HBW0 5/20 0.43
▸ LPAR1 Q92633 2/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ CETP P11597 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL7001953 0.98 LPAR3 (0.41) LPAR3LPAR2LPAR1ENPP2CETP
SCHEMBL6769527 0.94 CYP3A4 (0.42) CYP3A4
SCHEMBL6999357 0.87 MEN1 (0.41) ENPP2
SCHEMBL21357931 0.84 CETP (0.53) LPAR3LPAR2LPAR1CETP
SCHEMBL21359778 0.84 CETP (0.53) LPAR3LPAR2LPAR1CETP
SCHEMBL19602994 0.83 ENPP2 (0.45) LPAR3LPAR2LPAR1ENPP2
SCHEMBL22187687 0.83 ENPP2 (0.45) LPAR3LPAR2LPAR1ENPP2
SCHEMBL29617440 0.81 ENPP2 (0.44) LPAR3LPAR2LPAR1ENPP2KCNH2
SCHEMBL27537966 0.80 MEN1 (0.41) LPAR3LPAR2LPAR1CETP
SCHEMBL9300384 0.80 CETP (0.49) CETP

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 4 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-5922866-A REACTING A TRIALKYLSILYL HALIDE WITH A 1,2-AMIDE SUBSTITUTED BENZENE DERIVATIVE IN THE PRESENCE OF A BASE; USE AS PHARMACEUTICALS OR INTERMEDIATES FOR SYNTHESIS THEREOF, SUCH AS ANTIDIABETIC DRUGS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-07-13 — — US disclosed
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