SCHEMBL9527552

SCHEMBL9527552

CCCC/C=C\C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
MAPT P10636 1/20 0.48
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
EPHX2 P34913 1/20 0.40
ALOX5 P09917 1/20 0.40
OXER1 Q8TDS5 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL1879680 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTF7
SCHEMBL264932 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2MAPTF7
SCHEMBL11874320 0.96 KEAP1 (0.46) HCAR2KEAP1NFE2L2MAPTF7
SCHEMBL11874324 0.96 KEAP1 (0.46) HCAR2KEAP1NFE2L2MAPTF7
SCHEMBL1404268 0.94 CNR1 (0.49) HCAR2KEAP1NFE2L2MAPTF7
SCHEMBL1404267 0.94 CNR1 (0.49) HCAR2KEAP1NFE2L2MAPTF7
SCHEMBL11743976 0.92 PPARG (0.51) MAPTF7F3ATMCNR1
SCHEMBL347470 0.92 PPARG (0.51) MAPTF7F3ATMCNR1
SCHEMBL22555434 0.92 PPARG (0.51) MAPTF7F3ATMCNR1
SCHEMBL14672999 0.92 PPARG (0.51) MAPTF7F3ATMCNR1

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-0541593-A1 CYCLOPENTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE. SCHERING AG (DE) 1993-05-19 EP disclosed
EP-0541594-A1 CYCLOPENTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE. SCHERING AG (DE) 1993-05-19 EP disclosed
WO-1992002495-A1 CYCLOPENTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN/BERGKAMEN (DE) 1992-02-20 WO disclosed
WO-1992002494-A1 CYCLOPENTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN/BERGKAMEN (DE) 1992-02-20 WO disclosed