SCHEMBL29328183

SCHEMBL29328183

CC(C)(C=O)CC(C)(C)C(=O)OCCOCCN

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29328186 0.82
SCHEMBL12392870 0.77 POLB (0.39) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL25308651 0.75 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL29327421 0.74 MEN1 (0.31)
SCHEMBL17085255 0.72 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL18466023 0.71 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL24484193 0.70 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL23615767 0.69 CYP4F2 (0.33)
SCHEMBL12179897 0.69 DGAT1 (0.37)
SCHEMBL19872846 0.68 CYP4F2 (0.35) ALDH1A1TSHR

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
WO-2024146902-A1 METHODS OF PRODUCING HYDROGEL MICROSPHERES ASCENDIS PHARMA A/S (DK) 2024-07-11 WO disclosed