SCHEMBL9321972

SCHEMBL9321972

CC(C)(CCCCCCC(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
CES1 P23141 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TBXAS1 P24557 4/20 0.43
SRC P12931 1/20 0.43
ACLY P53396 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL11782068 0.93 CES1 (0.51) PPARACES1PRSS1CTSGCTRB1
SCHEMBL11664524 0.93 CES1 (0.51) PPARACES1PRSS1CTSGCTRB1
SCHEMBL3282682 0.91 L3MBTL1 (0.47) PPARACES1L3MBTL1LMNAMAPT
SCHEMBL6350509 0.90 PPARA (0.41) PPARACES1L3MBTL1LMNAMAPT
SCHEMBL1728463 0.90 CES1 (0.52) PPARACES1MAPTTDP1SRC
Hydrogen Peroxide SCHEMBL29060971 0.90 CES1 (0.52) PPARACES1MAPTTDP1SRC
SCHEMBL3280688 0.89 L3MBTL1 (0.44) PPARACES1L3MBTL1LMNAMAPT
SCHEMBL26064181 0.89 CES1 (0.49) PPARACES1LMNASRCPRSS1
SCHEMBL6347269 0.88 PPARA (0.42) PPARACES1L3MBTL1LMNAMAPT
SCHEMBL6697904 0.87 PPARA (0.40) PPARACES1L3MBTL1LMNAMAPT

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-8748628-B2 Process and composition of making polymerizable resins containing oxazolidone DENTSPLY INTERNATIONAL INC. (US) 2014-06-10 US disclosed
US-5319133-A Isocyanates and their preparation using hypochlorous acid OLIN CORPORATION (US) 1994-06-07 US disclosed