SCHEMBL7511586

SCHEMBL7511586

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCc1ccccc1)C(=O)C1Nc2cccc(S(C)(=O)=O)c2C12CCNCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
CTSS P25774 1/20 0.39
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 2/20 0.37
PPARG P37231 1/20 0.37
RAB9A P51151 1/20 0.37
GHSR Q92847 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.33
TACR1 P25103 2/20 0.32
REN P00797 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN2 P17706 3/20 0.31
PTPN1 P18031 3/20 0.31
CDC25B P30305 3/20 0.31
CDC25A P30304 2/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL8816268 0.88 GHSR (0.47) GHSR
SCHEMBL5697839 0.88 GHSR (0.47) GHSR
SCHEMBL6273359 0.88 GHSR (0.47) GHSR
Hydrochloric Acid SCHEMBL7507855 0.81 GHSR (0.43) GHSR
SCHEMBL7371725 0.79 GHSR (0.43) GHSR
SCHEMBL7370845 0.78 GHSR (0.37) GHSR
Hydrochloric Acid SCHEMBL7371113 0.75 GHSR (0.35) GHSR
SCHEMBL7369459 0.73 GHSR (0.33) GHSR
SCHEMBL5247044 0.72 PPARA (0.59) PPARACTSSKLK7KLK5PPARG
SCHEMBL5247053 0.72 PPARA (0.59) PPARACTSSKLK7KLK5PPARG

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