SCHEMBL7440534

SCHEMBL7440534

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.55
▸ FOLH1 Q04609 2/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KLK7 P49862 1/20 0.50
▸ KLK5 Q9Y337 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
SCHEMBL2467817 0.89 FOLH1 (0.65) FOLH1SIRT2SIRT1MAPTMMP9
SCHEMBL1491720 0.89 FOLH1 (0.65) FOLH1SIRT2SIRT1MAPTMMP9
SCHEMBL699636 0.89 FOLH1 (0.65) FOLH1SIRT2SIRT1MAPTMMP9
SCHEMBL5328146 0.88 SIRT2 (0.66) FOLH1SIRT2SIRT1MAPTKLK7
SCHEMBL5328141 0.88 SIRT2 (0.66) FOLH1SIRT2SIRT1MAPTKLK7
SCHEMBL29401894 0.87 GGT1 (0.56) CTSKFOLH1MAPTPAX8TDP1
SCHEMBL4958981 0.86 SYK (0.60) CTSKFOLH1SIRT2SIRT1MAPT
SCHEMBL918813 0.86 SYK (0.60) CTSKFOLH1SIRT2SIRT1MAPT
SCHEMBL1021938 0.86 SYK (0.60) CTSKFOLH1SIRT2SIRT1MAPT
SCHEMBL17039826 0.85 FOLH1 (0.60) FOLH1SIRT2SIRT1MAPTKLK7

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
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 — — EP disclosed
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