SCHEMBL14185324

SCHEMBL14185324

COC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ SIRT3 Q9NTG7 1/20 0.46
▸ KLK7 P49862 2/20 0.46
▸ KLK5 Q9Y337 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ TLR2 O60603 1/20 0.44
▸ TLR1 Q15399 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43

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
SCHEMBL14185326 0.93 KLK7 (0.47) PTPN1KMT2ASIRT2SIRT1SIRT3
SCHEMBL17444823 0.92 KLK7 (0.53) KMT2ASIRT2SIRT1SIRT3KLK7
SCHEMBL14185323 0.90 PTPN1 (0.45) PTPN1KMT2ASIRT2SIRT1SIRT3
SCHEMBL30649009 0.90 KMT2A (0.49) PTPN1KMT2ATLR2TLR1
SCHEMBL26641096 0.90 KMT2A (0.49) PTPN1KMT2ATLR2TLR1
SCHEMBL30565186 0.89 PTPN1 (0.55) PTPN1HDAC1HDAC2
SCHEMBL14214788 0.88 FOLH1 (0.52) PTPN1KMT2ASIRT2SIRT1HDAC1
SCHEMBL24235733 0.88 PTPN1 (0.51) PTPN1KMT2AKLK7KLK5MAPT
SCHEMBL29521232 0.88 KLK7 (0.54) KMT2AKLK7KLK5HDAC1HDAC2
SCHEMBL24235739 0.87 PTPN1 (0.51) PTPN1KMT2AKLK7KLK5HDAC1

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
US-7371724-B2 KAPREKY peptidomimetics and analogues thereof NOVARTIS AG (CH) 2008-05-13 — — US disclosed
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