SCHEMBL16712824

SCHEMBL16712824

NC(=O)NCCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.38
▸ SSTR3 P32745 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ PTPN1 P18031 3/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT5 Q9NXA8 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13410176 0.94 TGM2 (0.41) HTR2ASSTR3TGM2PTPN1SIRT2
SCHEMBL13401556 0.94 TGM2 (0.41) HTR2ASSTR3TGM2PTPN1SIRT2
SCHEMBL29522978 0.93 FURIN (0.37) HTR2ASSTR3PTPN1SIRT2SIRT1
SCHEMBL31681402 0.90 PTPN1 (0.40) HTR2ATPSAB1TGM2PTPN1SIRT2
SCHEMBL12094377 0.89 HTR2A (0.40) HTR2ASSTR3PTPN1SIRT2SIRT1
SCHEMBL2734925 0.89 HTR2A (0.40) HTR2ASSTR3PTPN1SIRT2SIRT1
SCHEMBL13830646 0.89 HTR2A (0.40) HTR2ASSTR3PTPN1SIRT2SIRT1
SCHEMBL19731720 0.89 HTR2A (0.40) HTR2ASSTR3PTPN1SIRT2SIRT1
SCHEMBL12944195 0.89 HTR2A (0.40) HTR2ASSTR3PTPN1SIRT2SIRT1
SCHEMBL29579452 0.89 HTR2A (0.40) HTR2ASSTR3PTPN1SIRT2SIRT1

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
WO-2015069587-A2 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2015-05-14 — — WO disclosed
Send feedback