SCHEMBL2808629

SCHEMBL2808629

CC(=CC(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.68
▸ PPARA Q07869 2/20 0.68

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
SCHEMBL9995297 0.93 PPARG (0.62) PPARGPPARA
SCHEMBL7920800 0.92 PPARG (0.63) PPARGPPARA
SCHEMBL7705750 0.87 PPARG (0.58) PPARGPPARA
SCHEMBL7702965 0.86 PPARG (0.73) PPARGPPARA
SCHEMBL3534143 0.84 PPARG (0.67) PPARGPPARA
SCHEMBL9430776 0.83 PPARG (0.77) PPARGPPARA
SCHEMBL9994990 0.82 PPARG (0.60) PPARGPPARA
SCHEMBL2808625 0.82 PPARG (0.60) PPARGPPARA
SCHEMBL9995234 0.82 PPARG (0.66) PPARGPPARA
SCHEMBL9995227 0.82 PPARG (0.66) PPARGPPARA

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
US-20110300129-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2011-12-08 — — US disclosed
WO-2010075037-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2010-07-01 — — WO disclosed
Send feedback