SCHEMBL9417606

SCHEMBL9417606

C=CC(=O)OCCC(=O)OCCCCCCOC(=O)CCOC(=O)C=C

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.76
ALDH1A1 P00352 4/20 0.76
CYP3A4 P08684 2/20 0.76
HPGD P15428 1/20 0.57
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
HSD17B10 Q99714 1/20 0.52
THRB P10828 2/20 0.43
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL2467554 0.98 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL6676002 0.93 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11233083 0.92 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9443501 0.91 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL816263 0.91 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL276446 0.90 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2459290 0.90 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9143157 0.90 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10493413 0.88 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13945622 0.87 TSHR (1.00) 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
EP-0583259-A1 RADIATION CURABLE VINYL/SILICONE RELEASE COATING. MINNESOTA MINING & MFG (US) 1994-02-23 EP disclosed
WO-1992016590-A1 RADIATION CURABLE VINYL/SILICONE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-01 WO disclosed