SCHEMBL16488586

SCHEMBL16488586

C=CC(=O)OCCCCCCCC(CC)CCOC(=O)C=C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 3/20 0.61
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
HCAR2 Q8TDS4 3/20 0.42
ATM Q13315 2/20 0.42
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL410262 0.97 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763044 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9122408 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8762084 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763900 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8762988 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763870 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763047 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26523175 0.92 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL650226 0.92 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53

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-20150079379-A1 POLYMERIZABLE COMPOSITION, POLYMER, OPTICAL ADHESIVE SHEET, IMAGE DISPLAY DEVICE, AND METHOD FOR MANUFACTURING IMAGE DISPLAY DEVICE SHOWA DENKO K.K. (JP) 2015-03-19 US disclosed
US-20150050432-A1 POLYMERIZABLE COMPOSITION, POLYMERIZATION PRODUCT, ADHESIVE SHEET, METHOD FOR MANUFACTURING AN IMAGE DISPLAY DEVICE, AND IMAGE DISPLAY DEVICE SHOWA DENKO K.K. (JP) 2015-02-19 US disclosed