SCHEMBL6856707

SCHEMBL6856707

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.49
NPY5R Q15761 3/20 0.45
NPY1R P25929 3/20 0.45
NPY4R P50391 3/20 0.45
MMP3 P08254 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CTSK P43235 3/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL29577662 0.97 SIRT5 (0.53) SIRT5NPY1RNPY4RMMP3TDP1
SCHEMBL29417414 0.97 SIRT5 (0.53) SIRT5NPY1RNPY4RMMP3TDP1
SCHEMBL5523268 0.97 SIRT5 (0.53) SIRT5NPY1RNPY4RMMP3TDP1
Hydrochloric Acid SCHEMBL29692733 0.96 SIRT5 (0.52) SIRT5NPY1RNPY4RMMP3TDP1
SCHEMBL1300474 0.94 SIRT5 (0.46) SIRT5NPY5RNPY1RNPY4RTDP1
SCHEMBL31045936 0.94 SIRT5 (0.52) SIRT5NPY1RNPY4RMMP3TDP1
SCHEMBL13276502 0.93 TDP1 (0.44) SIRT5MMP3TDP1KDM4EALDH1A1
SCHEMBL29355408 0.93 TDP1 (0.44) SIRT5MMP3TDP1KDM4EALDH1A1
SCHEMBL4727432 0.93 SIRT2 (0.49) SIRT5TDP1RAB9ASIRT1SIRT2
SCHEMBL4076285 0.93 SIRT2 (0.49) SIRT5TDP1RAB9ASIRT1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6781000-B1 FOR INHIBITING CELL PROLIFERATION DISORDERS, INFECTIOUS DISEASES, AND IMMUNOLOGICAL DISEASES IN MAMMALS, AND ESPECIALLY IN HUMANS CV THEURAPEUTICS, INC. 2004-08-24 US disclosed
EP-1058689-A1 ALPHA-KETOAMIDE INHIBITORS OF 20S PROTEASOME CV THERAPEUTICS, INC. (US) 2000-12-13 EP disclosed
US-6075150-A A CELL ANTIPROLIFERATIVE AGENT CV THERAPEUTICS, INC. (US) 2000-06-13 US disclosed
WO-1999037666-A1 α-KETOAMIDE INHIBITORS OF 20S PROTEASOME CV THERAPEUTICS, INC. (US) 1999-07-29 WO disclosed