SCHEMBL30729992

SCHEMBL30729992

C=CC(=O)OCC12CCC(C1)C1CCC(C)C12C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL5698932 0.74
SCHEMBL6836707 0.72 TSHR (0.31) TSHR
SCHEMBL6836714 0.70
SCHEMBL27487087 0.67 TSHR (0.35) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL13231924 0.66 TSHR (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL13231938 0.66 TSHR (0.35) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL22134328 0.66 TSHR (0.36) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL18822997 0.65
SCHEMBL22887288 0.64 CYP19A1 (0.33) ALDH1A1TP53TSHRHIF1A
SCHEMBL28217642 0.64 TSHR (0.41) ALDH1A1TP53TSHRHIF1AHSD17B10

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-117295774-A (meth) acrylate-based reactive diluent composition for unsaturated polyester resins 赢创运营有限公司 2023-12-26 CN disclosed