SCHEMBL6814867

SCHEMBL6814867

CCOC(=O)COc1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.42
PKM P14618 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
SCHEMBL6812749 0.88 EDNRB (0.47) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL6994087 0.84 LMNA (0.53) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL3681748 0.83 TSHR (0.44) ALDH1A1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL8210871 0.82 NPSR1 (0.60) ALDH1A1POLBSMN1; SMN2GAANPSR1
SCHEMBL2352786 0.81 PTGS1 (0.49) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL457964 0.78 LMNA (0.44) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL6809807 0.78 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL26813621 0.77 CYP1A2 (0.48) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL7320143 0.77 LMNA (0.51) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL2881816 0.77 LMNA (0.43) ALDH1A1KMT2ALMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed