SCHEMBL6590735

SCHEMBL6590735

O=C(O)C(Cc1ccc(OCc2ccccc2)cc1)OC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.66
PPARA Q07869 13/20 0.66
PPARD Q03181 1/20 0.59
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
RAB9A P51151 1/20 0.49
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49

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
SCHEMBL3990917 0.89 PPARA (0.55) PPARGPPARAPPARDKDM4EKMT2A
SCHEMBL13793229 0.89 PPARA (0.55) PPARGPPARAPPARDKDM4EKMT2A
SCHEMBL7299495 0.88 SRR (0.57) PPARGPPARA
SCHEMBL7299501 0.88 SRR (0.57) PPARGPPARA
SCHEMBL27653539 0.85 PPARG (0.67) PPARGPPARAPPARDKDM4EKMT2A
SCHEMBL24328378 0.82 SRR (0.61) PPARGPPARA
Cyclohexylamine SCHEMBL5607970 0.81 PPARA (0.58) PPARGPPARAPPARDKDM4EFFAR1
SCHEMBL288435 0.80 PPARA (0.74) PPARGPPARAPPARDFFAR1FFAR4
SCHEMBL6713386 0.80 PPARG (1.00) PPARGPPARA
SCHEMBL5606931 0.80 PPARA (0.74) PPARGPPARAPPARDFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453811-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2004-09-08 EP disclosed
WO-2003048130-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-06-12 WO disclosed