SCHEMBL11268417

SCHEMBL11268417

CCOC(=O)CCC(C)=CCCC(C)OC(C)(Br)OCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
KDM1A O60341 1/20 0.32
PTPN1 P18031 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 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
SCHEMBL11271339 0.88 KDM1A (0.33) KDM1A
SCHEMBL11279329 0.86 KDM1A (0.32) PPARGPPARDPPARAKDM1APTPN1
SCHEMBL11277695 0.76 PPARG (0.32) PPARGPPARDPPARAKDM1APTPN1
SCHEMBL11268420 0.70 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL11268424 0.70 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL11263521 0.70 CYP3A4 (0.33) PPARGPPARDPPARANR1I2PGR
SCHEMBL11279331 0.68 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL27827275 0.68 CYP1A2 (0.48) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11279334 0.67 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL11267293 0.67 CYP2D6 (0.36) PPARGPPARDPPARANR1I2PGR

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
EP-0054909-A2 9-Halo-8-hydroxy-4-methyl-4-nonenoic acids, derivatives thereof and a process for their preparation MITSUBISHI KASEI CORPORATION (JP) 1982-06-30 EP disclosed