SCHEMBL2829232

SCHEMBL2829232

CCCCC(CCCOc1c(C)cc(CCc2cc(C)c(OCCCC(CCCC)C3CO3)c(C)c2)cc1C)C1CO1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR2 O95136 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
HTR1A P08908 2/20 0.33
THRB P10828 3/20 0.32
THRA P10827 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2831013 0.95 HTR1A (0.33) S1PR1S1PR3S1PR2LPAR2HTR1A
SCHEMBL2836130 0.92 S1PR2 (0.36) S1PR1S1PR3S1PR2LPAR2HTR1A
SCHEMBL2831164 0.91 HTR1A (0.33) S1PR1S1PR3S1PR2LPAR2HTR1A
SCHEMBL2831311 0.89 THRB (0.33) S1PR1S1PR3S1PR2LPAR2HTR1A
SCHEMBL2830481 0.87 S1PR2 (0.34) S1PR1S1PR3S1PR2LPAR2HTR1A
SCHEMBL2836196 0.86 TP53 (0.34) HTR1ATHRBTHRAALDH1A1
SCHEMBL2831101 0.86 THRA (0.32) THRBTHRA
SCHEMBL2831041 0.85 GLRA1 (0.32)
SCHEMBL2828927 0.84 HTR1A (0.32) HTR1ATHRBTHRA
SCHEMBL2829781 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