SCHEMBL31473162

SCHEMBL31473162

COC(=O)C1COCCN1C(=O)[C@H](COC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.45
▸ CTSS P25774 5/20 0.45
▸ CTSL P07711 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CAPN1 P07384 1/20 0.43
▸ CASP1 P29466 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ ACE P12821 1/20 0.40
▸ PREP P48147 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP2 P42575 1/20 0.40

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
SCHEMBL31473142 0.86 ALDH1A1 (0.58) CTSKCTSSCTSLALDH1A1CYP3A4
SCHEMBL30769540 0.81 ACE (0.61) CTSKCTSSCTSLALDH1A1CYP3A4
SCHEMBL2072837 0.78 NPSR1 (0.54) ALDH1A1TSHRSMN1; SMN2KLK7KLK5
SCHEMBL5711405 0.76 DPP4 (0.51) CTSKCTSSCTSLACEPREP
SCHEMBL344382 0.75 CTSK (0.63) CTSKCTSSCTSLALDH1A1CAPN1
SCHEMBL29401640 0.75 CTSK (0.63) CTSKCTSSCTSLALDH1A1CAPN1
SCHEMBL344381 0.75 CTSK (0.63) CTSKCTSSCTSLALDH1A1CAPN1
SCHEMBL9929700 0.74 PPARA (0.54) CTSSCTSLKLK7KLK5ACE
SCHEMBL9929698 0.74 PPARA (0.54) CTSSCTSLKLK7KLK5ACE
SCHEMBL1410812 0.74 CTSK (0.61) CTSKCTSSCTSLALDH1A1CTSB

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-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 — — CN disclosed
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