SCHEMBL29088763

SCHEMBL29088763

CC(C)(C)OC(=O)COc1ccc2c(c1)CCCN2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.49
▸ PDK1 Q15118 4/20 0.48
▸ PDK2 Q15119 4/20 0.48
▸ PDK3 Q15120 4/20 0.48
▸ PDK4 Q16654 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL29722743 0.91 MPO (0.50) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL24528787 0.91 MPO (0.50) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL22075927 0.89 ALDH1A1 (0.48) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL22075960 0.88 MAPT (0.48) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL30369865 0.88 MAPT (0.48) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL31372228 0.77 PARP1 (0.45) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL3657122 0.76 HSD17B10 (0.48) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL25316782 0.76 HSD17B10 (0.48) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL3656194 0.76 HSD17B10 (0.50) HSD17B10PDK1PDK2PDK3PDK4
SCHEMBL22075949 0.75 TSHR (0.56) HSD17B10PDK1PDK2PDK3PDK4

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-116897150-A Novel bifunctional molecules for protein-targeted degradation 安菲斯塔治疗有限公司 2023-10-17 — — CN disclosed
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