SCHEMBL4802983

SCHEMBL4802983

CC(C)C1CC(C(COCc2ccccc2)NC(=O)OC(C)(C)C)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.50
KLK7 P49862 4/20 0.49
KLK5 Q9Y337 3/20 0.49
CTSS P25774 1/20 0.48
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.44
CTSL P07711 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.39
SYK P43405 1/20 0.39
ATM Q13315 1/20 0.39
PTPN2 P17706 3/20 0.38
PTPN1 P18031 3/20 0.38
CDC25B P30305 3/20 0.38
CDC25A P30304 2/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
SCHEMBL8171071 1.00 PPARA (0.50) PPARAKLK7KLK5CTSSPPARG
SCHEMBL13537921 0.82 KLK7 (0.59) PPARAKLK7KLK5CTSSPPARG
SCHEMBL13537920 0.82 KLK7 (0.59) PPARAKLK7KLK5CTSSPPARG
SCHEMBL8184799 0.81 PPARA (0.41) PPARAKLK7KLK5CTSSPPARG
SCHEMBL4807967 0.80 NPSR1 (0.39) PPARAKLK7KLK5CTSSPPARG
SCHEMBL8171835 0.79 PPARA (0.39) PPARAKLK7KLK5CTSSPPARG
SCHEMBL4746758 0.78 HTT (0.44) MEN1KMT2A
SCHEMBL3975545 0.78 HTT (0.44) MEN1KMT2A
SCHEMBL9296151 0.78 ATM (0.47) KLK5CTSSCTSLMEN1KMT2A
SCHEMBL4042099 0.77 ATM (0.48) KLK5CTSSCTSLMEN1KMT2A

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-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed