SCHEMBL8501723

SCHEMBL8501723

CC(C)(C)OC(=O)N(CCOCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
F2 P00734 3/20 0.47
PPARA Q07869 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.40
TP53 P04637 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL6636248 0.84 F2 (0.47) L3MBTL1F2MEN1CYP3A4CYP2C9
SCHEMBL16993182 0.83 L3MBTL1 (0.62) L3MBTL1PPARANPSR1ALDH1A1LMNA
SCHEMBL13280913 0.83 F2 (0.46) L3MBTL1F2MEN1CYP3A4CYP2C9
SCHEMBL4344800 0.81 L3MBTL1 (0.59) L3MBTL1PPARAMEN1KMT2ANPSR1
SCHEMBL6987866 0.81 L3MBTL1 (0.59) L3MBTL1PPARANPSR1ALDH1A1LMNA
SCHEMBL8329367 0.80 L3MBTL1 (0.58) L3MBTL1PPARANPSR1ALDH1A1LMNA
SCHEMBL4344803 0.80 L3MBTL1 (0.58) L3MBTL1PPARANPSR1ALDH1A1LMNA
SCHEMBL1624311 0.80 SMN1; SMN2 (0.51) L3MBTL1F2MEN1CYP3A4CYP2C9
SCHEMBL27572033 0.80 TP53 (0.54) L3MBTL1F2MEN1CYP3A4CYP2C9
SCHEMBL7754342 0.79 L3MBTL1 (0.57) L3MBTL1PPARANPSR1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864045-A Heterocyclic substituted piperazinone derivatives HOECHST MARION ROUSSEL, INC. (US) 1999-01-26 US disclosed
US-5840726-A Heterocyclic substituted piperazinone derivatives HOECHST MARION ROUSSEL INC. (US) 1998-11-24 US disclosed