SCHEMBL31375565

SCHEMBL31375565

COC(=O)c1ccc2c(c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HTT P42858 3/20 0.49
▸ ALOX15 P16050 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL20279961 1.00 LMNA (0.54) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL20264133 0.91 SMN1; SMN2 (0.48) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL26962078 0.88 HPGD (0.41) LMNAALDH1A1HTTGAAHPGD
SCHEMBL29796987 0.88 HPGD (0.41) LMNAALDH1A1HTTGAAHPGD
SCHEMBL5969265 0.87 ALDH1A1 (0.40) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL5729510 0.87 ALDH1A1 (0.40) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL31375481 0.86 LMNA (0.38) LMNAALDH1A1HTTALOX15GAA
SCHEMBL31628137 0.86 LMNA (0.38) LMNAALDH1A1HTTALOX15GAA
SCHEMBL29270699 0.85 GAA (0.40) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL30675678 0.85 GAA (0.40) LMNAALDH1A1HTTALOX15HSD17B10

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-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
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