SCHEMBL7360653

SCHEMBL7360653

CC(C)(C)OC(=O)N1[C@H](CC2CCCCC2)C(C(O)C(Br)C(=O)N2C(=O)OCC2Cc2ccccc2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
REN P00797 12/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PPARG P37231 1/20 0.32
KLK7 P49862 2/20 0.31
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL7360648 1.00 PPARA (0.33) PPARAPDE4APDE4BPDE4CPDE4D
SCHEMBL7360651 1.00 PPARA (0.33) PPARAPDE4APDE4BPDE4CPDE4D
SCHEMBL7364609 0.91 CSNK2B (0.33) PPARAPDE4APDE4BPDE4CPDE4D
SCHEMBL7364612 0.91 CSNK2B (0.33) PPARAPDE4APDE4BPDE4CPDE4D
SCHEMBL7364607 0.91 CSNK2B (0.33) PPARAPDE4APDE4BPDE4CPDE4D
SCHEMBL7365064 0.89 REN (0.33) PPARARENPPARG
SCHEMBL7365061 0.89 REN (0.33) PPARARENPPARG
SCHEMBL7365066 0.89 REN (0.33) PPARARENPPARG
SCHEMBL7542380 0.80 IL6ST (0.40) RENKLK7
SCHEMBL7542372 0.80 IL6ST (0.40) RENKLK7

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
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed