SCHEMBL6582336

SCHEMBL6582336

CCOc1cc(C=CC(=O)OC)ccc1OCc1coc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
FDPS P14324 2/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
FFAR1 O14842 1/20 0.43
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.43
LTB4R Q15722 1/20 0.43
AKR1C3 P42330 1/20 0.42

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
SCHEMBL6582331 1.00 KDM4E (0.53) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL6584022 0.88 FDPS (0.59) KDM4EMAPTNPC1RAB9AFDPS
SCHEMBL6584017 0.88 FDPS (0.59) KDM4EMAPTNPC1RAB9AFDPS
SCHEMBL8482890 0.85 CA2 (0.57) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL6586835 0.85 KDM4E (0.46) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL6586838 0.85 KDM4E (0.46) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL8482892 0.85 CA2 (0.57) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL6585785 0.84 ALDH1A1 (0.49) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL5349276 0.78 FDPS (0.72) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL5349280 0.78 FDPS (0.72) KDM4ELMNAMAPTNPC1RAB9A

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed