SCHEMBL749652

SCHEMBL749652

CCCCOC(=O)NC(CCC(=O)N(C)OC)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.49
SIRT1 Q96EB6 2/20 0.49
SIRT3 Q9NTG7 1/20 0.49
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CTSK P43235 6/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CAPN1 P07384 1/20 0.43
CAPN2 P17655 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
SCHEMBL751179 0.86 CTSL (0.55) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL15101058 0.85 CTSL (0.50) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL749653 0.85 ALDH1A1 (0.52) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL5206542 0.85 CTSK (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6471138 0.84 CTSL (0.53) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL4313271 0.84 FOLH1 (0.52) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL4313267 0.84 FOLH1 (0.52) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL203729 0.83 PPARA (0.49) CTSLCTSSCTSK
SCHEMBL14985678 0.83 PPARA (0.49) CTSLCTSSCTSK
SCHEMBL2707957 0.83 PPARA (0.49) CTSLCTSSCTSK

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed