SCHEMBL7103049

SCHEMBL7103049

CCCCCC(=O)CCC(=O)CC(CCCc1nnn[nH]1)c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G2C Q5R387 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL6509570 0.80 ALDH1A1 (0.32)
SCHEMBL7095906 0.78
SCHEMBL5705327 0.76 MAPT (0.42) MAPTKMT2APLA2G2C
SCHEMBL5705372 0.73 MAPT (0.42) MAPTKMT2APLA2G2C
SCHEMBL7095910 0.72 MAPT (0.36) MAPTKMT2APLA2G2C
SCHEMBL19126676 0.70 ALDH1A1 (0.46) MAPTKMT2A
SCHEMBL1639937 0.69 PAOX (0.35) MAPT
SCHEMBL7028592 0.69 MAPT (0.36) MAPTKMT2APLA2G2C
SCHEMBL18649822 0.69 LMNA (0.33)
SCHEMBL19558131 0.69 LMNA (0.33)

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-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed