SCHEMBL6231731

SCHEMBL6231731

CCOC(=O)CC(=O)c1cc(C2OCCO2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PDE4B Q07343 4/20 0.40
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
MIF P14174 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
TSHR P16473 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
KDM1A O60341 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6234654 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EPDE4BPDE4APDE4C
SCHEMBL14936568 0.77 MEN1 (0.57) ALDH1A1KDM4EKMT2AMEN1PDE4B
SCHEMBL27476920 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1PDE4B
SCHEMBL10604420 0.76 KMT2A (0.54) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL406034 0.76 LMNA (0.59) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL2642926 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL6232464 0.73 NPC1 (0.38) ALDH1A1KDM4EPDE4BTSHRNPC1
SCHEMBL17709618 0.72 MEN1 (0.56) ALDH1A1KDM4EKMT2AMEN1CYP2C19
SCHEMBL30218361 0.72 NPC1 (0.62) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL954173 0.72 NPC1 (0.62) ALDH1A1KDM4EKMT2AMEN1POLB

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-1213287-B1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN SEIYAKU KK (JP) 2005-05-25 EP disclosed
US-6730687-B1 THERAPY OF METABOLIC DISEASES SUCH AS DIABETES AND HYPERLIPIDEMIA AS AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1213287-A1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed