SCHEMBL9831350

SCHEMBL9831350

CSc1ccc(-c2nc(C)c(COC(C)(C)C(=O)O)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.46
PPARG P37231 8/20 0.46
PPARA Q07869 7/20 0.43
FFAR1 O14842 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VDR P11473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
Romazarit SCHEMBL43265 0.86 ALDH1A1 (0.50) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL9830223 0.86 PPARD (0.50) PPARDPPARGPPARAFFAR1VDR
Romazarit SCHEMBL3226211 0.85 ALDH1A1 (0.49) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL9830285 0.84 PPARD (0.65) PPARDPPARGPPARAFFAR1
SCHEMBL9831905 0.81 NOTUM (0.44) PPARDPPARGPPARAFFAR1VDR
SCHEMBL9829580 0.77 VDR (0.48) PPARDPPARGPPARAFFAR1VDR
SCHEMBL9830290 0.76 KDM4E (0.41) PPARDPPARGPPARAMAPTKDM4E
SCHEMBL9831640 0.75 ALDH1A1 (0.49) PPARDPPARGPPARAFFAR1MAPT
SCHEMBL9831297 0.74 SLC16A3 (0.47) PPARDPPARGPPARAMAPTALDH1A1
SCHEMBL9830056 0.74 PPARA (0.50) PPARDPPARGPPARAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP claimed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US claimed
EP-0220573-A1 Heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1987-05-06 EP claimed
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US disclosed
EP-0220573-A1 Heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1987-05-06 EP disclosed