SCHEMBL16344760

SCHEMBL16344760

CC(C)CCOC(=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP19A1 P11511 1/20 0.50
LMNA P02545 1/20 0.48
SLC15A1 P46059 1/20 0.46
PPARG P37231 1/20 0.46
NOTUM Q6P988 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CDC25B P30305 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL11048345 0.94 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1CYP19A1
SCHEMBL4890742 0.89 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL16670547 0.88 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL20694850 0.88 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL16670457 0.88 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL4955877 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL4955881 0.86 TDP1 (0.74) ALDH1A1TDP1CYP19A1LMNAPPARG
SCHEMBL21335680 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1L3MBTL1CYP19A1
SCHEMBL28377873 0.84 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL11049073 0.84 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1LMNA

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
EP-3016938-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS Polymer Additives, Inc. (US) 2016-05-11 EP disclosed
WO-2015002746-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS FERRO CORPORATION (US) 2015-01-08 WO disclosed