SCHEMBL5042501

SCHEMBL5042501

C=C(CCCOC(=O)C(=C)CC(CC)CCCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CYP3A4 P08684 3/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 4/20 0.39
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CA1 P00915 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL9408898 0.93 TSHR (0.43) TSHRCYP3A4ATMTDP1CA2
SCHEMBL27497374 0.89 TSHR (0.46) TSHRCYP3A4ATMTDP1CA2
SCHEMBL1759450 0.87 TSHR (0.47) TSHRCYP3A4ATMTDP1CA2
SCHEMBL6905569 0.86 TSHR (0.44) TSHRCYP3A4ATMTDP1CA2
SCHEMBL5311239 0.86 TSHR (0.54) TSHRCYP3A4ATMTDP1CA2
SCHEMBL11183541 0.84 CA2 (0.46) TSHRCYP3A4ATMTDP1CA2
SCHEMBL28120881 0.83 TSHR (0.44) TSHRCYP3A4ATMTDP1CA2
SCHEMBL11326788 0.83 TSHR (0.44) TSHRCYP3A4ATMTDP1CA2
SCHEMBL7636494 0.83 TSHR (0.45) TSHRCYP3A4ATMTDP1CA2
SCHEMBL11451455 0.81 TSHR (0.44) TSHRCYP3A4ATMTDP1CA2

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-1297046-B1 PRESSURE-SENSITIVE ADHESIVES EXHIBITING AN IMPROVED SHEAR STRENGTH AT ELEVATED TEMPERATURES BAYER MATERIALSCIENCE AG (DE) 2008-03-05 EP disclosed
EP-1164154-A1 Pressure-sensitive adhesives with improved shearing resistance at higher temperatures BAYER AG (DE) 2001-12-19 EP disclosed