SCHEMBL7028989

SCHEMBL7028989

CC(C)(C)CCC(=O)CCCC(=O)CCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL8898363 0.91 ALDH1A1 (0.32) ALDH1A1FFAR1CPT2TDP1TSHR
SCHEMBL18381432 0.91 SLC22A6 (0.50) MAPTKMT2AALDH1A1FFAR1TDP1
SCHEMBL5443034 0.87 FNTA (0.30) FNTAFNTB
SCHEMBL15457453 0.86 MAPT (0.37) MAPTKMT2AALDH1A1FFAR1CPT2
SCHEMBL491385 0.85 KMT2A (0.56) MAPTKMT2AALDH1A1FFAR1TDP1
SCHEMBL5705314 0.85
SCHEMBL8096567 0.84 KMT2A (0.59) MAPTKMT2AALDH1A1FFAR1TDP1
SCHEMBL18085816 0.84 KMT2A (0.59) MAPTKMT2AALDH1A1FFAR1TDP1
SCHEMBL8897711 0.84 KMT2A (0.59) MAPTKMT2AALDH1A1FFAR1TDP1
SCHEMBL25885737 0.83 MAPT (0.41) MAPTKMT2AALDH1A1FFAR1CPT2

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 disclosed