SCHEMBL22117498

SCHEMBL22117498

NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CC12CCC(CC1)CC2)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ FOLH1 Q04609 2/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CPB1 P15086 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ PTGER4 P35408 2/20 0.45
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ HTT P42858 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
SCHEMBL22117499 1.00 SIRT2 (0.49) SIRT2CTSLFOLH1CA1CA2
SCHEMBL22117406 0.91 SIRT2 (0.50) SIRT2CTSLFOLH1CA1CA2
SCHEMBL22117407 0.91 SIRT2 (0.50) SIRT2CTSLFOLH1CA1CA2
SCHEMBL31679028 0.90 DPP8 (0.49) SIRT2CTSLFOLH1CA1CA2
SCHEMBL31679036 0.90 KLK7 (0.54) SIRT2CTSLCA1CA2
SCHEMBL31679013 0.87 NPY4R (0.48) SIRT2CTSLPTGER4
SCHEMBL22117556 0.83 CTSL (0.51) SIRT2CTSLPTGER4
SCHEMBL22117557 0.83 CTSL (0.51) SIRT2CTSLPTGER4
SCHEMBL22117811 0.83 CTSL (0.51) SIRT2CTSLPTGER4
SCHEMBL22117808 0.83 CTSL (0.51) SIRT2CTSLPTGER4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898652-A1 MITOCHONDRIA-TARGETING PEPTIDES Stealth Biotherapeutics Corp (MC) 2021-10-27 — — EP disclosed
WO-2020131282-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS CORP. (MC) 2020-06-25 — — WO disclosed
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