SCHEMBL6061671

SCHEMBL6061671

CCCCCCCCCCCCC(S)(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)OCC(CO)(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
CES2 O00748 1/20 0.33
SMPD1 P17405 3/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
GGPS1 O95749 1/20 0.32
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FDPS P14324 2/20 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
SCHEMBL31597137 0.82 KMT2A (0.37) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL31264402 0.82 MEN1 (0.34) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL9680712 0.82 MEN1 (0.37) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL31476276 0.81 MEN1 (0.36) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6061673 0.80 CES2 (0.36) MEN1MAPTKMT2ACES2
SCHEMBL31285000 0.80 MEN1 (0.40) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL9239137 0.75 ZDHHC7 (0.37) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL31284559 0.75 FAAH (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL15255236 0.74 MEN1 (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8998689 0.74 MEN1 (0.41) MEN1MAPTKMT2AATML3MBTL1

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
US-7078460-B2 Room temperature curable organopolysiloxane composition for molding SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-07-18 US claimed