SCHEMBL2834836

SCHEMBL2834836

COc1cccc(C(=O)c2ccccc2NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 1.00
▸ PPARA Q07869 1/20 0.86

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
SCHEMBL2787384 0.93 PPARG (1.00) PPARGPPARA
SCHEMBL2786618 0.93 PPARG (1.00) PPARGPPARA
SCHEMBL7914542 0.93 PPARG (1.00) PPARGPPARA
SCHEMBL2786243 0.92 PPARG (0.87) PPARGPPARA
SCHEMBL2786747 0.89 PPARG (1.00) PPARGPPARA
SCHEMBL7914633 0.89 PPARG (0.90) PPARGPPARA
SCHEMBL2787222 0.88 PPARG (1.00) PPARGPPARA
SCHEMBL7922715 0.88 PPARG (0.88) PPARGPPARA
SCHEMBL7922709 0.88 PPARG (0.88) PPARGPPARA
SCHEMBL7923261 0.87 PPARG (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010075037-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2010-07-01 — — WO disclosed
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