SCHEMBL9077724

SCHEMBL9077724

CC(C)(C)OC(=O)C=Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.59
PPARA Q07869 5/20 0.59
ACE P12821 1/20 0.56
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
CTSS P25774 6/20 0.50
CTSK P43235 5/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PTPN1 P18031 3/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARD Q03181 2/20 0.47

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
SCHEMBL9077727 1.00 PPARG (0.59) PPARGPPARAACEITGB3ITGA2B
SCHEMBL14021750 0.91 PPARG (0.55) PPARGPPARAACEITGB3ITGA2B
SCHEMBL4887436 0.91 PPARG (0.55) PPARGPPARAACEITGB3ITGA2B
SCHEMBL4597517 0.91 PPARG (0.55) PPARGPPARAACEITGB3ITGA2B
SCHEMBL14021649 0.89 ITGB3 (0.55) PPARGPPARAACEITGB3ITGA2B
SCHEMBL4889863 0.89 ITGB3 (0.55) PPARGPPARAACEITGB3ITGA2B
SCHEMBL4889870 0.89 ITGB3 (0.55) PPARGPPARAACEITGB3ITGA2B
SCHEMBL23704405 0.85 ACE (0.60) PPARGPPARAACEITGB3ITGA2B
SCHEMBL5227204 0.85 ACE (0.60) PPARGPPARAACEITGB3ITGA2B
SCHEMBL9078660 0.84 PPARA (0.51) PPARGPPARAACECTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
US-5296608-A Intermediates for analogs of tyrosine sulfate or tyrosine phosphate containing peptides HOFFMAN-LA ROCHE INC. (US) 1994-03-22 US disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP disclosed