SCHEMBL11037360

SCHEMBL11037360

CCOC(=O)C(CCCCc1cccc(C(F)(F)F)c1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
THRB P10828 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.49
EPHX1 P07099 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL11203309 0.96 MAPK1 (0.54) MAPK1L3MBTL1HDAC1HDAC8THRB
SCHEMBL11040210 0.92 MAPK1 (0.48) MAPK1L3MBTL1HDAC1HDAC8THRB
SCHEMBL11203787 0.91 MAPK1 (0.49) MAPK1L3MBTL1HDAC1HDAC8THRB
SCHEMBL7058689 0.85 THRB (0.49) MAPK1L3MBTL1HDAC1HDAC8THRB
SCHEMBL6714650 0.83 HTR2A (0.55) MAPK1L3MBTL1THRBTDP1TSHR
SCHEMBL30589450 0.83 HTR2A (0.55) MAPK1L3MBTL1THRBTDP1TSHR
SCHEMBL5558144 0.82 THRB (0.51) HDAC1HDAC8THRBEPHX1ALDH1A1
SCHEMBL11242316 0.82 HDAC1 (0.46) HDAC1HDAC8TSHREPHX1GAA
SCHEMBL7428681 0.81 L3MBTL1 (0.68) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL11255205 0.81 HDAC1 (0.52) HDAC1HDAC8THRBTDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038343-B1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-27 EP disclosed
US-4334089-A HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT (DE) 1982-06-08 US disclosed
EP-0051077-A1 Substituted oxocarboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-05-12 EP disclosed
EP-0038343-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1981-10-28 EP disclosed
WO-1981001285-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS,PROCESS FOR THE PREPARATION THEREOF,USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-05-14 WO disclosed