SCHEMBL6774202

SCHEMBL6774202

Cc1cc(CCCCOCc2ccccc2)sc1CCC(C)(N)CO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LTB4R Q15722 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
GBA1 P04062 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 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
SCHEMBL6769659 0.88 L3MBTL1 (0.38) L3MBTL1TDP1KDM4EPOLBMEN1
SCHEMBL6769752 0.87 LTB4R (0.42) LTB4R
SCHEMBL6768709 0.87 LTB4R (0.42) LTB4R
SCHEMBL6775391 0.86 S1PR1 (0.38)
SCHEMBL383869 0.84 L3MBTL1 (0.43) L3MBTL1TDP1KDM4EPOLBMEN1
SCHEMBL6769593 0.82 L3MBTL1 (0.35) L3MBTL1TDP1KDM4EPOLBLTB4R
SCHEMBL6767982 0.74 LTB4R (0.39) LTB4R
SCHEMBL6769532 0.74 S1PR1 (0.37)
SCHEMBL6890392 0.73 L3MBTL1 (0.35) L3MBTL1KDM4EPOLB
SCHEMBL6768150 0.72 POLB (0.37) L3MBTL1TDP1KDM4EPOLBSPHK1

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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US claimed