SCHEMBL9763743

SCHEMBL9763743

COc1ccc(COC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TGM2 P21980 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
SIRT2 Q8IXJ6 8/20 0.43
SIRT1 Q96EB6 7/20 0.43
GAA P10253 1/20 0.43
BMP1 P13497 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
SIRT3 Q9NTG7 3/20 0.42
SIRT5 Q9NXA8 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
Hydrochloric Acid SCHEMBL9763718 0.99 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TGM2HDAC8
SCHEMBL14286269 0.91 SIRT5 (0.51) TGM2SIRT2SIRT1SIRT3SIRT5
SCHEMBL14264834 0.91 SIRT5 (0.51) TGM2SIRT2SIRT1SIRT3SIRT5
SCHEMBL236067 0.91 SIRT5 (0.51) TGM2SIRT2SIRT1SIRT3SIRT5
Hydrochloric Acid SCHEMBL3503087 0.90 SIRT5 (0.51) TGM2SIRT2SIRT1SIRT3SIRT5
Hydrochloric Acid SCHEMBL9763814 0.86 PDF (0.46) ALDH1A1SIRT2SIRT1MEN1KMT2A
SCHEMBL1529286 0.85 SIRT2 (0.48) SIRT2SIRT1MEN1KMT2ALMNA
SCHEMBL2268022 0.85 SIRT5 (0.57) TGM2SIRT2SIRT1SIRT3SIRT5
Hydrochloric Acid SCHEMBL10884941 0.84 SIRT5 (0.56) TGM2SIRT2SIRT1SIRT3SIRT5
Hydrochloric Acid SCHEMBL10943848 0.84 SIRT5 (0.56) TGM2SIRT2SIRT1SIRT3SIRT5

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
EP-0262191-B1 NOVEL PEPTIDE DERIVATIVES Kabi Diagnostica AB (SE) 1991-12-04 EP claimed