SCHEMBL14214788

SCHEMBL14214788

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.52
▸ PTPN1 P18031 5/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TLR2 O60603 2/20 0.48
▸ TNF P01375 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ PTGER4 P35408 1/20 0.47

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
SCHEMBL14214786 0.93 FOLH1 (0.49) FOLH1PTPN1KMT2ATLR2SIRT2
SCHEMBL23574786 0.90 FOLH1 (0.58) FOLH1KMT2ATLR2SIRT2SIRT1
SCHEMBL29400684 0.90 FOLH1 (0.58) FOLH1KMT2ATLR2SIRT2SIRT1
SCHEMBL23574788 0.90 FOLH1 (0.58) FOLH1KMT2ATLR2SIRT2SIRT1
SCHEMBL119447 0.90 FOLH1 (0.58) FOLH1KMT2ATLR2SIRT2SIRT1
SCHEMBL120774 0.90 FOLH1 (0.58) FOLH1KMT2ATLR2SIRT2SIRT1
SCHEMBL14185324 0.88 PTPN1 (0.49) FOLH1PTPN1KMT2ATLR2SIRT2
SCHEMBL8823890 0.87 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL22804067 0.87 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL178815 0.87 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1

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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