SCHEMBL29010386

SCHEMBL29010386

O=C(O)/C=C\C(=O)OCC(C1=CCCC1)C1=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.41
GSTP1 P09211 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37
HRH3 Q9Y5N1 1/20 0.30
TBXAS1 P24557 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
SCHEMBL29010382 0.95 GSTP1 (0.43) HCAR2GSTP1TAAR1TBXAS1
SCHEMBL3421769 0.83 TSHR (0.43) GSTP1TBXAS1
SCHEMBL29130285 0.78 GSTP1 (0.38) HCAR2GSTP1TAAR1
SCHEMBL4872196 0.73 TSHR (0.46) GSTP1
SCHEMBL4870943 0.72 GSTP1 (0.31) GSTP1
SCHEMBL29130283 0.71 GSTP1 (0.41) GSTP1
SCHEMBL4163887 0.69 TAAR1 (0.38) HCAR2GSTP1TAAR1
SCHEMBL2962185 0.69 HCAR2 (0.59) HCAR2
SCHEMBL4163882 0.69 TAAR1 (0.38) HCAR2GSTP1TAAR1
SCHEMBL4166371 0.69 TAAR1 (0.38) HCAR2GSTP1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234884-A Aqueous dispersion of polymer additives and method therefor 陶氏环球技术有限责任公司 2023-06-06 CN disclosed