SCHEMBL28611779

SCHEMBL28611779

O=C(/C=C/C(=O)OC1(O)CCCCCCCCCCC1)OC1(O)CCCCCCCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9334801 0.82 TSHR (0.31) TSHR
SCHEMBL5698514 0.82 TSHR (0.31) TSHR
SCHEMBL5933911 0.79 TSHR (0.32) TSHR
SCHEMBL4019607 0.77 CYP2C19 (0.33) TSHRCYP2C19
SCHEMBL28787467 0.77 SMN1; SMN2 (0.35) TSHRCYP2C19
SCHEMBL4360209 0.75 CYP2C19 (0.34) TSHRCYP2C19
SCHEMBL4169216 0.74 CYP19A1 (0.41) KEAP1NFE2L2HCAR2
SCHEMBL4159330 0.74 CYP19A1 (0.41) KEAP1NFE2L2HCAR2
SCHEMBL3679550 0.74 TSHR (0.32) TSHR
SCHEMBL4225849 0.73 SMN1; SMN2 (0.33) TSHRCYP2C19

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-109705581-B Silicone rubber composition, silicone rubber and preparation method thereof 浙江清华柔性电子技术研究院 2021-07-13 CN disclosed