SCHEMBL6769593

SCHEMBL6769593

Cc1cc(C(=O)CCCOCc2ccccc2)sc1CCC(C)(N)CO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 3/20 0.34
FAAH O00519 1/20 0.33
LTB4R Q15722 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL6890392 0.89 L3MBTL1 (0.35) L3MBTL1KDM4EPOLBS1PR1S1PR3
SCHEMBL6769650 0.87 S1PR4 (0.39) S1PR1S1PR3TDP1
SCHEMBL13165876 0.87 LTB4R (0.42) FAAHLTB4RTDP1ACHE
SCHEMBL6768150 0.83 POLB (0.37) L3MBTL1KDM4EPOLBS1PR1S1PR3
SCHEMBL6774202 0.82 L3MBTL1 (0.39) L3MBTL1KDM4EPOLBLTB4RTDP1
SCHEMBL3511485 0.79 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL3512684 0.79 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL13165878 0.78 S1PR1 (0.34) S1PR1S1PR3LTB4RACHE
SCHEMBL3511760 0.77 NAMPT (0.40) KDM4E
SCHEMBL3512678 0.77 NAMPT (0.40) KDM4E

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