SCHEMBL6166156

SCHEMBL6166156

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)N1Cc2ccc(NC(=O)c3ccccc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
UGCG Q16739 6/20 0.42
CTSS P25774 1/20 0.42
HCRTR2 O43614 2/20 0.41
GHSR Q92847 1/20 0.41
CYP3A4 P08684 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
TMPRSS2 O15393 1/20 0.39

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
SCHEMBL6166160 1.00 CCKBR (0.44) CCKBRPPARAPPARGUGCGCTSS
SCHEMBL6163691 0.87 GHSR (0.53) CCKBRUGCGHCRTR2GHSRCYP3A4
SCHEMBL6163682 0.87 GHSR (0.53) CCKBRUGCGHCRTR2GHSRCYP3A4
SCHEMBL6165388 0.86 PPARA (0.46) CCKBRPPARAPPARGUGCGCTSS
SCHEMBL6165392 0.86 PPARA (0.46) CCKBRPPARAPPARGUGCGCTSS
SCHEMBL6162496 0.86 PPARA (0.42) CCKBRPPARAPPARGUGCGCTSS
SCHEMBL6162501 0.86 PPARA (0.42) CCKBRPPARAPPARGUGCGCTSS
SCHEMBL8413200 0.85 PPARA (0.43) CCKBRPPARAPPARGCTSSHCRTR2
Trifluoroacetic Acid SCHEMBL6164358 0.84 GHSR (0.49) CCKBRUGCGHCRTR2GHSRCYP3A4
SCHEMBL6166772 0.81 MEN1 (0.47) CTSS

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed