SCHEMBL6775342

SCHEMBL6775342

CC(CCc1ccc(CCCCOCc2ccccc2)s1)COC(=O)/C=C\C(=O)OCC(C)CCc1ccc(CCCCOCc2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAAA Q02083 1/20 0.36
LMNA P02545 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
AKR1B10 O60218 6/20 0.35
AKR1B1 P15121 6/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.34
ALOX5 P09917 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL6775335 0.97 HCAR2 (0.45) HCAR2L3MBTL1TDP1NAAALMNA
SCHEMBL5167563 0.84 HCAR2 (0.36) HCAR2L3MBTL1TDP1NAAALMNA
Fumaric Acid SCHEMBL6775343 0.84 L3MBTL1 (0.39) HCAR2L3MBTL1TDP1NAAAMMP3
Maleic Acid SCHEMBL5167559 0.78 L3MBTL1 (0.37) HCAR2L3MBTL1TDP1LMNAMMP3
Fumaric Acid SCHEMBL5167568 0.78 L3MBTL1 (0.37) HCAR2L3MBTL1TDP1LMNAMMP3
SCHEMBL387695 0.76 HCAR2 (0.43) HCAR2TDP1LMNAFAAH
SCHEMBL6765101 0.73 DPP4 (0.42) NAAAMMP9
SCHEMBL6765094 0.71 DPP4 (0.41) MMP9
SCHEMBL27489982 0.68 HCAR2 (0.60) HCAR2TDP1LMNAAKR1B10AKR1B1
SCHEMBL383869 0.68 L3MBTL1 (0.43) L3MBTL1TDP1NAAAMMP3MMP9

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 disclosed