SCHEMBL27679802

SCHEMBL27679802

CC(C)(Cc1ccccc1)C(=O)NCCCOc1ccc(CC(Nc2ccccc2OC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PPARA Q07869 1/20 0.45

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
SCHEMBL27679970 0.91 PPARG (0.49) PPARGITGB3ITGA2BPPARA
SCHEMBL4648646 0.87 PPARG (0.67) PPARGPPARA
SCHEMBL27679950 0.85 ITGB3 (0.52) PPARGITGB3ITGA2BPPARA
SCHEMBL4646362 0.84 PPARG (0.68) PPARGPPARA
SCHEMBL27698906 0.84 PPARG (0.50) PPARGPPARA
SCHEMBL27698863 0.84 PPARG (0.55) PPARGPPARA
SCHEMBL27679957 0.83 PPARG (0.53) PPARGITGB3ITGA2BPPARA
SCHEMBL27679804 0.83 PPARG (0.50) PPARGPPARA
SCHEMBL28764427 0.83 PPARG (0.54) PPARGITGB3ITGA2BPPARA
SCHEMBL27679786 0.82 PPARG (0.49) 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
CN-101048367-A New tyrosine derivative as ppar gamma regulator SALVAT LAB HOLDINGS S A (ES) 2007-10-03 CN disclosed