SCHEMBL6161524

SCHEMBL6161524

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
PPARA Q07869 2/20 0.43
CYP3A4 P08684 2/20 0.42
UGCG Q16739 2/20 0.42
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
PPARG P37231 1/20 0.40
GHSR Q92847 2/20 0.40
KMT2A Q03164 1/20 0.40
CCKBR P32239 2/20 0.40
MAPK1 P28482 1/20 0.40
CTSK P43235 1/20 0.40
RAB9A P51151 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
SCHEMBL6163918 0.89 CYP3A4 (0.46) CTSSPPARACYP3A4UGCGPPARG
SCHEMBL6163920 0.89 CYP3A4 (0.46) CTSSPPARACYP3A4UGCGPPARG
SCHEMBL6165333 0.87 GHSR (0.51) CYP3A4UGCGGHSRCCKBR
Trifluoroacetic Acid SCHEMBL6160638 0.84 GHSR (0.48) CYP3A4UGCGGHSRCCKBR
Trifluoroacetic Acid SCHEMBL6160642 0.84 GHSR (0.48) CYP3A4UGCGGHSRCCKBR
SCHEMBL6162932 0.82 PPARA (0.48) CTSSPPARAKLK7KLK5PPARG
SCHEMBL6162935 0.82 PPARA (0.48) CTSSPPARAKLK7KLK5PPARG
SCHEMBL6161113 0.82 P2RX7 (0.43) CTSSPPARACYP3A4UGCGGHSR
SCHEMBL6161111 0.82 P2RX7 (0.43) CTSSPPARACYP3A4UGCGGHSR
SCHEMBL6163585 0.81 KMT2A (0.49) PPARAKMT2ACCKBRMAPK1

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