SCHEMBL6625591

SCHEMBL6625591

[CH2]P(=O)(OCCCCCC)OCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.61
LPAR2 Q9HBW0 7/20 0.61
LPAR1 Q92633 5/20 0.61
CYP3A4 P08684 1/20 0.52
LMNA P02545 1/20 0.48
ESR1 P03372 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CDC25A P30304 1/20 0.48
AGTR1 P30556 1/20 0.48
AKT1 P31749 1/20 0.48
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
LPAR5 Q9H1C0 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL6628239 0.98 LPAR3 (0.58) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL5771057 0.90 CYP3A4 (0.64) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL6630010 0.82 LPAR3 (0.69) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL7183824 0.80 CYP3A4 (0.80) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL20483847 0.80 CYP3A4 (0.80) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL625931 0.80 CYP3A4 (0.80) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL258318 0.80 CYP3A4 (0.80) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL21437266 0.80 CYP3A4 (0.80) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL21440331 0.80 CYP3A4 (0.80) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL11670863 0.80 CYP3A4 (0.80) LPAR3LPAR2LPAR1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227098-B1 TRIAZOLOPURINE DERIVATIVES, DRUG COMPOSITIONS CONTAINING THE SAME AND ADENOSINE A3 RECEPTOR AFFINITIVE AGENTS OTSUKA PHARMA CO LTD (JP) 2004-04-28 EP disclosed
US-6686343-B1 Triazolopurine derivatives, pharmaceutical compositions containing the derivatives, and adenosine A3 receptor affinitive agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-02-03 US disclosed
EP-1227098-A1 TRIAZOLOPURINE DERIVATIVES, DRUG COMPOSITIONS CONTAINING THE SAME AND ADENOSINE A3 RECEPTOR AFFINITIVE AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-07-31 EP disclosed
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed