SCHEMBL2786491

SCHEMBL2786491

O=C(O)C(Cc1ccccc1)Cc1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.53
▸ PPARA Q07869 2/20 0.47
▸ DRD4 P21917 2/20 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
Trifluoroacetic Acid SCHEMBL7711566 0.96 PPARG (0.50) PPARGPPARA
SCHEMBL7920692 0.91 PPARG (0.50) PPARGPPARA
SCHEMBL2785848 0.91 PPARG (0.46) PPARGPPARADRD4
SCHEMBL7922719 0.89 PPARG (0.48) PPARGPPARADRD4
Trifluoroacetic Acid SCHEMBL7705739 0.88 PPARG (0.43) PPARGPPARA
SCHEMBL4609088 0.86 PPARG (0.65) PPARGPPARA
SCHEMBL7168302 0.85 ITGB3 (0.59) PPARG
SCHEMBL7168299 0.85 ITGB3 (0.59) PPARG
SCHEMBL377531 0.84 PPARG (0.66) PPARGPPARA
SCHEMBL377363 0.84 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