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SCHEMBL14214786

SCHEMBL14214786

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.49
▸ PTPN1 P18031 5/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ SIRT2 Q8IXJ6 2/20 0.46
▸ SIRT1 Q96EB6 2/20 0.46
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45
▸ TLR2 O60603 1/20 0.45

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
SCHEMBL14214788 0.93 FOLH1 (0.52) FOLH1PTPN1KMT2ASIRT2SIRT1
SCHEMBL14185326 0.87 KLK7 (0.47) PTPN1KMT2ASIRT2SIRT1TLR2
SCHEMBL29401164 0.84 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL22804067 0.84 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL29401850 0.84 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL178815 0.84 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL178700 0.84 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL8823890 0.84 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL31624479 0.84 FOLH1 (0.62) FOLH1KMT2ASIRT2SIRT1CPB1
SCHEMBL29370715 0.84 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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