SCHEMBL9752543

SCHEMBL9752543

CCCCCC(C)(C)OOC=CCCOC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HCAR2 Q8TDS4 2/20 0.33
GMNN O75496 2/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
CYP2C9 P11712 2/20 0.33
APEX1 P27695 2/20 0.33
CYP2C19 P33261 2/20 0.33
RECQL P46063 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TERT O14746 3/20 0.32
MAPT P10636 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL9752544 0.79
SCHEMBL3758849 0.76 LMNA (0.32) HSD17B10LMNA
SCHEMBL8762545 0.74
SCHEMBL30457817 0.72 DGKA (0.35) HCAR2ATM
SCHEMBL31164259 0.71 ALDH1A1 (0.37) HCAR2ATM
SCHEMBL31055388 0.71 NAAA (0.38) HCAR2CYP3A4NPSR1ATM
SCHEMBL2768951 0.71 HCAR2 (0.41) HSD17B10HCAR2MAPTLMNANPSR1
SCHEMBL11516052 0.70 ATM (0.36) BLMHSD17B10HCAR2GMNNUSP2
SCHEMBL3760909 0.69
Hydrogen Peroxide SCHEMBL28403912 0.68 F7 (0.37) BLMHSD17B10GMNNUSP2CYP1A2

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed