SCHEMBL7589561

SCHEMBL7589561

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)N1c2ccccc2C2(CCNCC2)[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.41
CTSL P07711 1/20 0.40
PPARA Q07869 2/20 0.40
KLK7 P49862 2/20 0.39
KLK5 Q9Y337 2/20 0.39
CTSS P25774 1/20 0.39
PPARG P37231 1/20 0.37
RAB9A P51151 1/20 0.37
TLR2 O60603 2/20 0.35
TACR1 P25103 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CMA1 P23946 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
SCHEMBL8150673 0.74 GHSR (0.57) GHSRTACR1
SCHEMBL5247053 0.74 PPARA (0.59) CTSLPPARAKLK7KLK5CTSS
SCHEMBL5247044 0.74 PPARA (0.59) CTSLPPARAKLK7KLK5CTSS
SCHEMBL7567562 0.74 GHSR (0.59) GHSRTACR1
SCHEMBL5247747 0.72 PPARA (0.71) PPARAKLK7KLK5CTSSPPARG
SCHEMBL5227731 0.72 PPARA (0.71) PPARAKLK7KLK5CTSSPPARG
SCHEMBL7572185 0.72 GHSR (0.52) GHSRPPARACTSSTACR1
Hydrochloric Acid SCHEMBL7571947 0.72 GHSR (0.41) GHSRCTSSTACR1
SCHEMBL8314876 0.72 GHSR (0.49) GHSRPPARAKLK7KLK5CTSS
SCHEMBL7511586 0.72 PPARA (0.40) GHSRCTSLPPARAKLK7KLK5

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-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO disclosed