SCHEMBL6584822

SCHEMBL6584822

COc1cc(CCCCC2OC(=O)NC2=O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
ALOX5 P09917 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
CALM1 P0DP23 1/20 0.45
OR51E2 Q9H255 1/20 0.45
PTPN1 P18031 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 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
SCHEMBL6583021 0.96 PPARG (0.51) PPARGMTNR1AMTNR1BTAAR1TSHR
SCHEMBL6583808 0.92 TAAR1 (0.50) PPARGMTNR1AMTNR1BTAAR1TSHR
SCHEMBL8896521 0.91 TUBB4A (0.51) PPARGTSHRLMNACYP1A2CYP3A4
SCHEMBL8889108 0.85 PPARG (0.46) PPARGMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL8175426 0.84 SHBG (0.52) TAAR1TSHRMAPK1ALOX5LMNA
SCHEMBL6583749 0.83 PPARG (0.47) PPARGTSHRALOX5CYP3A4TUBB4A
SCHEMBL6584133 0.82 TSHR (0.49) PPARGTSHRLMNACYP1A2CYP3A4
SCHEMBL8899122 0.81 PPARG (0.55) PPARGMTNR1AMTNR1BMAPK1LMNA
SCHEMBL6587646 0.81 PPARG (0.59) PPARGMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL6583789 0.80 GAA (0.46) PPARGTSHRALDH1A1GAATDP1

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