SCHEMBL6583808

SCHEMBL6583808

COc1cc(CCC2OC(=O)NC2=O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
ALOX5 P09917 1/20 0.48
OR51E2 Q9H255 1/20 0.48
PTPN1 P18031 2/20 0.48
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SHBG P04278 3/20 0.44
PPARG P37231 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NOS2 P35228 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43

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 0.93 PPARG (0.51) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6584822 0.92 PPARG (0.49) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6584133 0.90 TSHR (0.49) TSHRLMNAGAAALDH1A1NFKB1
SCHEMBL6583789 0.88 GAA (0.46) TSHRGAAALDH1A1TDP1PPARG
SCHEMBL8175426 0.87 SHBG (0.52) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL8896521 0.82 TUBB4A (0.51) TSHRLMNAGAANFKB1PPARG
SCHEMBL8889108 0.81 PPARG (0.46) TSHRGAAALDH1A1TDP1PPARG
SCHEMBL6583544 0.79 SIRT2 (0.59) MAPK1LMNAALDH1A1PPARGMTNR1A
SCHEMBL6583749 0.79 PPARG (0.47) TSHRALOX5ALDH1A1PPARGCYP3A4
SCHEMBL8172780 0.77 GAA (0.47) TSHRLMNAGAANFKB1CYP1A2

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