SCHEMBL1669059

SCHEMBL1669059

CCC(=O)CCC(NC(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FOLH1 Q04609 2/20 0.32
▸ RIMKLA Q8IXN7 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
SCHEMBL24629242 0.82 MAPT (0.38) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL26535566 0.82 L3MBTL1 (0.36) TDP1L3MBTL1KMT2ANOD1POLB
SCHEMBL21516155 0.82 TDP1 (0.36) ALDH1A1TDP1L3MBTL1
SCHEMBL8254919 0.81 MAPT (0.43) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL24983988 0.81 MAPT (0.43) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL25603577 0.80 L3MBTL1 (0.35) L3MBTL1FOLH1KMT2ANOD1POLB
SCHEMBL20122050 0.80 NOD1 (0.54) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14557465 0.79 FOLH1 (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL17718255 0.79 FOLH1 (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16250367 0.79 KDM4E (0.42) MAPTKDM4ETHRBALOX15NFKB1

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-2012046062-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS SHIRE, LLC (US) 2012-04-12 — — WO disclosed
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