SCHEMBL2000769

SCHEMBL2000769

CCOC(=O)C(OCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 3/20 0.51
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PIN1 Q13526 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MMP8 P22894 2/20 0.47
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL9532125 0.92 KMT2A (0.56) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL20418679 0.89 L3MBTL1 (0.52) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL23485348 0.86 PTGS2 (0.57) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL8215545 0.86 PTGS2 (0.57) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL12216811 0.86 PTGS2 (0.57) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL2000458 0.85 KMT2A (0.53) L3MBTL1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4011033 0.85 KMT2A (0.53) L3MBTL1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL16430589 0.84 SLC1A3 (0.49) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL10472516 0.83 L3MBTL1 (0.64) L3MBTL1LMNAKMT2ASLC1A3SLC1A2
SCHEMBL3813646 0.83 L3MBTL1 (0.64) L3MBTL1LMNAKMT2ASLC1A3SLC1A2

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
US-7960420-B2 Diazonamide analogs with improved solubility JOYANT PHARMACEUTICALS, INC (US) 2011-06-14 US disclosed