SCHEMBL8956263

SCHEMBL8956263

C=C(C)C(=O)OCC(CCC)C(CCCC)OC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
THRB P10828 1/20 0.36
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PRKCA P17252 3/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
FAAH O00519 1/20 0.31
CTSK P43235 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
SCHEMBL8955894 0.91 TSHR (0.45) TSHRTHRBCYP3A4ATMTDP1
SCHEMBL6669913 0.85 TSHR (0.40) TSHRTHRBCA1CA2ALDH1A1
SCHEMBL8956211 0.85 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL6670379 0.82 TSHR (0.47) TSHRTHRBCYP3A4ATMTDP1
SCHEMBL28865022 0.81 ALDH1A1 (0.41) TSHRTHRBCYP3A4TDP1ALDH1A1
SCHEMBL8955893 0.81 TSHR (0.50) TSHRTHRBCYP3A4ATMTDP1
SCHEMBL19294802 0.80 TSHR (0.52) TSHRTHRBTDP1ALDH1A1
SCHEMBL6670156 0.79 TSHR (0.40) TSHRTHRBCYP3A4ATMTDP1
SCHEMBL730445 0.78 TSHR (0.50) TSHRTHRBCYP3A4ATMTDP1
SCHEMBL13468872 0.78 TSHR (0.42) TSHRTHRBCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690080-A2 Hindered-hydroxyl functional (meth) acrylate monomers containing di (meth) acrylates and compositions including same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-03 EP claimed
US-5442023-A Without premature crosslinking or gel formation; curable protective coatings, inks, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-08-15 US claimed
EP-0690080-A2 Hindered-hydroxyl functional (meth) acrylate monomers containing di (meth) acrylates and compositions including same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-03 EP disclosed
US-5442023-A Without premature crosslinking or gel formation; curable protective coatings, inks, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-08-15 US disclosed