SCHEMBL30457883

SCHEMBL30457883

CCC(=O)N1CCCc2cc(OCC(=O)Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ TSHR P16473 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HSD17B10 Q99714 3/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ MAPT P10636 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PDK1 Q15118 1/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ PDK3 Q15120 1/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 2/20 0.48

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
SCHEMBL29040439 0.89 MAPT (0.52) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL30457845 0.89 MAPT (0.52) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL22075949 0.89 TSHR (0.56) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL30457882 0.88 PDK1 (0.64) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL22075927 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL24764176 0.84 HSD17B10 (0.71) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL26022343 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL22075942 0.80 TSHR (0.56) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL30369541 0.80 TSHR (0.56) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL23499609 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TSHRMAPK1

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-116444494-A Compound for targeted degradation of BUB1B and BUB1 protein, and preparation method and application thereof 浙江大学 2023-07-18 — — CN disclosed
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