SCHEMBL10936362

SCHEMBL10936362

C=CC(=O)OC(C)(C)C#CC(C)(C)O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL22563763 0.92 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL22271129 0.79 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL1371810 0.78
SCHEMBL1051782 0.77 TSHR (0.34) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL1253574 0.75 ELANE (0.40) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL22563760 0.74 TSHR (0.39) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL10352235 0.74 GAA (0.38)
SCHEMBL693228 0.73
Acrylic Acid SCHEMBL10936371 0.73 LMNA (0.53) TSHRALDH1A1
SCHEMBL3284091 0.72 TSHR (0.37) TSHRALDH1A1TP53CYP3A4MAPK1

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-4524092-A ACRYLATE OR METHACRYLATE POLYMERS ANIC S.P.A. (IT) 1985-06-18 US disclosed
EP-0103332-A1 Process and composition for coating a metallic substrate with a polymeric film ANIC S.p.A. (IT) 1984-03-21 EP disclosed