SCHEMBL24529066

SCHEMBL24529066

N#CCC(=O)N1CCCc2cc(OCC=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PDK1 Q15118 3/20 0.44
▸ PDK2 Q15119 3/20 0.44
▸ PDK3 Q15120 3/20 0.44
▸ PDK4 Q16654 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL24529070 0.85 TSHR (0.53) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL2087233 0.75 SMN1; SMN2 (0.62) TSHRSMN1; SMN2ALDH1A1MAPK1KDM4E
SCHEMBL30369541 0.71 TSHR (0.56) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL22075949 0.71 TSHR (0.56) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL22075942 0.71 TSHR (0.56) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL29040439 0.71 MAPT (0.52) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL30457845 0.71 MAPT (0.52) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL23499609 0.70 ALDH1A1 (0.55) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL30457737 0.70 PDK1 (0.64) HSD17B10MAPTTSHRTP53SMN1; SMN2
SCHEMBL30457883 0.70 ALDH1A1 (0.52) HSD17B10MAPTTSHRTP53SMN1; SMN2

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-2022129925-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2022-06-23 — — WO disclosed
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