SCHEMBL27679797

SCHEMBL27679797

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.47
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARA Q07869 1/20 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
SCHEMBL27679786 0.94 PPARG (0.49) PPARGPPARA
SCHEMBL27698906 0.91 PPARG (0.50) PPARGPPARA
SCHEMBL4742648 0.88 PPARG (0.63) PPARGPPARA
SCHEMBL4646009 0.88 PPARG (0.63) PPARGPPARA
SCHEMBL4643153 0.87 PPARG (0.64) PPARGPPARA
SCHEMBL4643624 0.86 PPARG (0.63) PPARGPPARA
SCHEMBL4646038 0.86 PPARG (0.63) PPARGPPARA
SCHEMBL4647464 0.85 PPARG (0.64) PPARGPPARA
SCHEMBL4744740 0.85 PPARG (0.65) PPARGPPARA
SCHEMBL27679804 0.84 PPARG (0.50) 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