SCHEMBL5676290

SCHEMBL5676290

CCCCCCCCCCCCCCCCC(O)(O)C(=O)OO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.44
FDPS P14324 9/20 0.44
GGPS1 O95749 7/20 0.44
CES2 O00748 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9485960 0.91 PAM (0.35) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL20816343 0.83 MEN1 (0.46) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL16275127 0.83 SMPD1 (0.44) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL2229952 0.83 MEN1 (0.46) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL14057227 0.83 MEN1 (0.46) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL23754219 0.83 SMPD1 (0.44) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL17977934 0.83 SMPD1 (0.44) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL1070336 0.83 TP53 (0.36) SMPD1FDPSMEN1MAPTKMT2A
SCHEMBL247768 0.81 CES2 (0.44) SMPD1FDPSGGPS1CES2MEN1
SCHEMBL1581517 0.79 CYP4F2 (0.52) SMPD1FDPSGGPS1CES2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110520-A1 Active oxygen eliminator derived from natural substance and use thereof MIDORIKAWA KIYOSHI 2006-05-25 US disclosed
EP-1621194-A1 ACTIVE OXYGEN ELIMINATOR ORIGINATING IN NATURAL MATERIAL AND USE OF THE SAME Nihon Propolis Co., Ltd. (JP) 2006-02-01 EP disclosed