SCHEMBL9116239

SCHEMBL9116239

CC(C)OC(=O)c1noc(C2CC2)c1C(=O)c1ccc(Cl)cc1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.35
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
CNR2 P34972 1/20 0.32
F10 P00742 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL8493346 0.89 NR1H4 (0.38) NR1H4ALDH1A1PPARGPPARDPPARA
SCHEMBL8488379 0.87 HTT (0.38) ALDH1A1PPARGPPARDPPARASMN1; SMN2
SCHEMBL8762913 0.86 SMURF2 (0.38) NR1H4PPARGPPARDPPARAGPBAR1
SCHEMBL8492287 0.85 DPP4 (0.36) NR1H4ALDH1A1PPARG
SCHEMBL9116236 0.82 PPARG (0.33) NR1H4PPARGPPARDPPARAGPBAR1
SCHEMBL6607062 0.81 GPBAR1 (0.34) ALDH1A1GPBAR1CNR2F10STAT3
SCHEMBL6596749 0.79 GPBAR1 (0.36) NR1H4ALDH1A1PPARGPPARDPPARA
SCHEMBL28600495 0.79 GPBAR1 (0.44) NR1H4PPARGPPARDPPARAGPBAR1
SCHEMBL27346945 0.76 PPARG (0.36) NR1H4PPARGPPARDPPARAGPBAR1
SCHEMBL8490660 0.76 TP53 (0.36) ALDH1A1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed