SCHEMBL28652336

SCHEMBL28652336

N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)OC(N)=O)C(=O)NC(CC1CCOCC1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.45
▸ PTGER4 P35408 4/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ NPY4R P50391 4/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ NPY1R P25929 2/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ NPY5R Q15761 2/20 0.40
▸ REN P00797 1/20 0.40

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
SCHEMBL28652331 1.00 CTSL (0.45) CTSLPTGER4SIRT2NPY4RCPB1
SCHEMBL22117438 0.91 CTSL (0.50) CTSLPTGER4SIRT2NPY4RNPY1R
SCHEMBL31679033 0.91 CTSL (0.48) CTSLPTGER4NPY4RNPY1RNPY2R
SCHEMBL22117437 0.91 CTSL (0.50) CTSLPTGER4SIRT2NPY4RNPY1R
SCHEMBL28925221 0.90 SIRT2 (0.47) CTSLPTGER4SIRT2CPB1CPB2
SCHEMBL28925220 0.90 SIRT2 (0.47) CTSLPTGER4SIRT2CPB1CPB2
SCHEMBL31679021 0.88 KLK7 (0.51) CTSLNPY4R
SCHEMBL22117555 0.85 SIRT2 (0.49) CTSLPTGER4SIRT2CPB1CPB2
SCHEMBL22117554 0.85 SIRT2 (0.49) CTSLPTGER4SIRT2CPB1CPB2
SCHEMBL28652171 0.84 CTSL (0.44) CTSLPTGER4SIRT2NPY4RCPB1

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
CN-113544138-A Mitochondrial targeting peptides 隐形生物治疗公司 2021-10-22 — — CN disclosed
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