SCHEMBL2831311

SCHEMBL2831311

CCCCC(CCCOc1c(C)cc(-c2cc(C)c(OCCCC(CCCC)C3CO3)c(C)c2)cc1C)C1CO1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 2/20 0.32
NR1I2 O75469 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2828927 0.94 HTR1A (0.32) THRBTHRAHTR1ANR1I2CYP3A4
SCHEMBL2832943 0.90 HTR1A (0.32) HTR1ANR1I2CYP3A4CYP2D6
SCHEMBL2829232 0.89 S1PR1 (0.34) THRBTHRAALDH1A1SMN1; SMN2HTR1A
SCHEMBL2836130 0.89 S1PR2 (0.36) THRBTHRAALDH1A1SMN1; SMN2HTR1A
SCHEMBL2836196 0.88 TP53 (0.34) THRBTHRAALDH1A1HTR1AMAPT
SCHEMBL2833161 0.85
SCHEMBL2830481 0.84 S1PR2 (0.34) HTR1AS1PR2S1PR1S1PR3LPAR2
SCHEMBL2831013 0.84 HTR1A (0.33) HTR1AS1PR2S1PR1S1PR3LPAR2
SCHEMBL2830263 0.84 SRD5A2 (0.33)
SCHEMBL2832504 0.83 CYP3A4 (0.36) CYP3A4CYP2D6NPSR1

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