SCHEMBL6775335

SCHEMBL6775335

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.45
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAAA Q02083 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
LMNA P02545 2/20 0.34
AKR1B10 O60218 2/20 0.34
AKR1B1 P15121 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL6775342 0.97 HCAR2 (0.40) HCAR2TDP1L3MBTL1NAAAMMP3
Fumaric Acid SCHEMBL6775343 0.88 L3MBTL1 (0.39) HCAR2ALDH1A1TDP1L3MBTL1NAAA
Fumaric Acid SCHEMBL5167568 0.82 L3MBTL1 (0.37) HCAR2ALDH1A1TDP1L3MBTL1MMP3
Maleic Acid SCHEMBL5167559 0.82 L3MBTL1 (0.37) HCAR2ALDH1A1TDP1L3MBTL1MMP3
SCHEMBL5167563 0.82 HCAR2 (0.36) HCAR2TDP1L3MBTL1NAAALMNA
SCHEMBL387695 0.80 HCAR2 (0.43) HCAR2ALDH1A1TDP1LMNA
SCHEMBL6765101 0.72 DPP4 (0.42) ALDH1A1NAAAMMP9
SCHEMBL6765094 0.71 DPP4 (0.41) ALDH1A1MMP9
SCHEMBL28500283 0.67 HCAR2 (0.77) HCAR2NAAALMNAAKR1B10AKR1B1
Hydrochloric Acid SCHEMBL27349461 0.67 HCAR2 (0.77) HCAR2LMNAAKR1B10AKR1B1

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