SCHEMBL14637553

SCHEMBL14637553

CCOC(=O)C(=O)Oc1ccc(CC(=O)CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
THRB P10828 1/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ELANE P08246 1/20 0.36
HTT P42858 1/20 0.36
CTBP2 P56545 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL7064280 0.82 RAB9A (0.49) KMT2AMEN1CYP4F2CYP4A11THRB
SCHEMBL7064350 0.78 LMNA (0.55) KMT2AMEN1KDM4EALDH1A1HSP90AA1
SCHEMBL3175977 0.74 HTT (0.61) KDM4EALDH1A1MAPTHTTCTBP2
SCHEMBL7899007 0.74 MEN1 (0.55) KMT2AMEN1KDM4EALDH1A1HSP90AA1
SCHEMBL7064540 0.72 RAB9A (0.56) KMT2AMEN1THRBALDH1A1HSP90AA1
SCHEMBL12704024 0.71 HTT (0.53) KMT2AMEN1GLAKDM4EALDH1A1
SCHEMBL28729704 0.70 ALDH1A1 (0.47) KMT2AMEN1THRBGLAKDM4E
SCHEMBL6340092 0.69 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL2416902 0.69 LIPE (0.54) LIPEKMT2AMEN1ALDH1A1MAPT
SCHEMBL7641016 0.69 HTT (0.54) KMT2AMEN1GLAALDH1A1HTT

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
WO-2013012118-A1 NOVEL PHENYLESTER COMPOUND AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING INFLAMMATORY DISEASES COMPRISING THE SAME SINIL PHARMACEUTICAL CO., LTD. (KR) 2013-01-24 WO claimed
EP-2740458-B1 Packaging comprising forms of sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide IP GES FÜR MAN MBH (DE) 2016-08-03 EP disclosed
EP-2740458-A1 Packaging comprising forms of sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide IP Gesellschaft für Management mbH (DE) 2014-06-11 EP disclosed
WO-2013012118-A1 NOVEL PHENYLESTER COMPOUND AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING INFLAMMATORY DISEASES COMPRISING THE SAME SINIL PHARMACEUTICAL CO., LTD. (KR) 2013-01-24 WO disclosed
WO-2013012118-A1 NOVEL PHENYLESTER COMPOUND AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING INFLAMMATORY DISEASES COMPRISING THE SAME SINIL PHARMACEUTICAL CO., LTD. (KR) 2013-01-24 WO disclosed