SCHEMBL2363649

SCHEMBL2363649

C=CCC(C(=O)O)C(C)(OOC(C)(C)C)OOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP2C19 P33261 2/20 0.33
CPA1 P15085 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL339957 0.77 TSHR (0.33) TSHR
SCHEMBL17757012 0.77 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1CYP3A4
SCHEMBL5420620 0.77 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1CYP3A4
SCHEMBL9785440 0.77 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1CYP3A4
SCHEMBL11668371 0.74 TDP1 (0.40) GRIK1GRIK2CYP3A4TSHR
SCHEMBL8731754 0.73 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL3153113 0.72 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL11000169 0.72 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL11668392 0.71 CA2 (0.46) GRIK1GRIK2
SCHEMBL7596861 0.69 GRIK1 (0.41) GRIK1GRIK2CYP2C19CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110203665-A1 ADHESIVE SHEET AND SOLAR CELL INCLUDING THE SAME BRIDGESTONE CORPORATION (JP) 2011-08-25 US disclosed