SCHEMBL2830481

SCHEMBL2830481

CCCC(CCCOc1c(C)cc(Cc2cc(C)c(OCCCC(CCC)C3CO3)c(C)c2)cc1C)C1CO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
HTR1A P08908 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
SCHEMBL2836130 0.95 S1PR2 (0.36) S1PR2S1PR1S1PR3LPAR2HTR1A
SCHEMBL2831013 0.92 HTR1A (0.33) S1PR2S1PR1S1PR3LPAR2HTR1A
SCHEMBL2828930 0.91 S1PR2 (0.32) S1PR2S1PR1S1PR3LPAR2HTR1A
SCHEMBL2828927 0.89 HTR1A (0.32) HTR1A
SCHEMBL2829232 0.87 S1PR1 (0.34) S1PR2S1PR1S1PR3LPAR2HTR1A
SCHEMBL2836108 0.86
SCHEMBL2830445 0.86 TP53 (0.34) HTR1A
SCHEMBL2835828 0.85 GLRA1 (0.32)
SCHEMBL2831311 0.84 THRB (0.33) S1PR2S1PR1S1PR3LPAR2HTR1A
SCHEMBL2831159 0.84 CYP3A4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed