SCHEMBL31040286

SCHEMBL31040286

C=CC(=O)OC(C)(C=C)CC.[Na]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.40
TSHR P16473 8/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9541873 0.81 ALDH1A1 (0.32) THRBTSHRALDH1A1
SCHEMBL27726512 0.81 ALDH1A1 (0.32) THRBTSHRALDH1A1
SCHEMBL9541870 0.79 ALDH1A1 (0.31) THRBTSHRALDH1A1
SCHEMBL27518350 0.79 GAA (0.40) THRBTSHRALDH1A1HSD17B10
SCHEMBL1108008 0.77 TSHR (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL302801 0.77 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL25800694 0.76
SCHEMBL466005 0.75 THRB (0.42) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL865173 0.75 THRB (0.42) THRBTSHRALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL6720468 0.75 TSHR (0.42) THRBTSHRALDH1A1TP53HIF1A

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-118255949-A Polymer modified bentonite impermeable material and preparation method thereof 长江水利委员会长江科学院 2024-06-28 CN disclosed