SCHEMBL7595843

SCHEMBL7595843

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCc1ccccc1)C(=O)[N+]1(S(C)(=O)=O)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
GHSR Q92847 1/20 0.40
CTSS P25774 1/20 0.39
PPARG P37231 1/20 0.38
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 2/20 0.36
TACR1 P25103 10/20 0.35
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8238063 0.88 GHSR (0.51) GHSRTACR1
SCHEMBL8564275 0.79 CTSS (0.49) PPARAGHSRCTSSPPARGKLK7
SCHEMBL8161727 0.77 GHSR (0.39) GHSRCTSSTACR1
SCHEMBL7979239 0.75 GHSR (0.39) PPARAGHSRPPARGTACR1
SCHEMBL8466975 0.75 GHSR (0.39) GHSRTACR1
SCHEMBL5247044 0.73 PPARA (0.59) PPARACTSSPPARGKLK7KLK5
SCHEMBL5247053 0.73 PPARA (0.59) PPARACTSSPPARGKLK7KLK5
SCHEMBL5247747 0.73 PPARA (0.71) PPARACTSSPPARGKLK7KLK5
SCHEMBL5227731 0.73 PPARA (0.71) PPARACTSSPPARGKLK7KLK5
SCHEMBL7511586 0.72 PPARA (0.40) PPARAGHSRCTSSPPARGKLK7

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