SCHEMBL6583749

SCHEMBL6583749

COc1cc(CCCC2OC(=O)NC2=O)cc(OC)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
TNKS2 Q9H2K2 2/20 0.43
CA2 P00918 1/20 0.40
AKR1B1 P15121 1/20 0.40
ALOX5 P09917 3/20 0.39
MET P08581 2/20 0.36
TP53 P04637 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
IGF1R P08069 1/20 0.35
CYP3A4 P08684 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 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
SCHEMBL6583021 0.86 PPARG (0.51) PPARGALOX5METCYP3A4ALDH1A1
SCHEMBL6584822 0.83 PPARG (0.49) PPARGALOX5METCYP3A4TUBB4A
SCHEMBL8896521 0.81 TUBB4A (0.51) PPARGIGF1RCYP3A4TUBB4ATUBB
SCHEMBL8181764 0.79 CA2 (0.42) TNKS2CA2AKR1B1CYP3A4ALDH1A1
SCHEMBL6583573 0.79 PPARG (0.54) PPARGCA2TP53ALDH1A1TSHR
SCHEMBL6583808 0.79 TAAR1 (0.50) PPARGALOX5CYP3A4ALDH1A1TSHR
SCHEMBL8889108 0.77 PPARG (0.46) PPARGCYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL6584133 0.76 TSHR (0.49) PPARGCA2CYP3A4TUBB4ATUBB
SCHEMBL8340297 0.75 PTPN1 (0.48) PPARGTNKS2CA2AKR1B1ALOX5
SCHEMBL7165615 0.75 PPARG (0.41) PPARGCA2TP53CYP4F2CYP4A11

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
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed