SCHEMBL2236453

SCHEMBL2236453

CC1=C(CC(=O)O)C(=O)c2ccccc2C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
HTT P42858 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
APAF1 O14727 1/20 0.73
MITF O75030 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
CDC25B P30305 6/20 0.56
S100A4 P26447 4/20 0.56
IDO1 P14902 1/20 0.55
TDO2 P48775 1/20 0.55
CDC25A P30304 4/20 0.53
MAP2K7 O14733 2/20 0.53
PKM P14618 4/20 0.47

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
SCHEMBL10956396 0.93 KDM4E (0.63) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL13675411 0.84 LMNA (0.57) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL10909742 0.82 ALDH1A1 (0.52) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL13649357 0.82 MAPT (0.59) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL16473013 0.80 STAT3 (0.54) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL30005823 0.80 MAPT (0.56) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL12354328 0.80 ALDH1A1 (0.60) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL4446630 0.80 MAPT (0.56) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL10446741 0.79 MAPT (0.59) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL11421782 0.78 MAPT (0.55) MAPTKDM4EALDH1A1LMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011098545-A1 NOVEL 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES AND PRECURSORS THEREOF, HAVING VITAMIN K ACTIVITY NATTOPHARMA ASA (NO) 2011-08-18 WO claimed
WO-2011098545-A1 NOVEL 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES AND PRECURSORS THEREOF, HAVING VITAMIN K ACTIVITY NATTOPHARMA ASA (NO) 2011-08-18 WO disclosed
WO-2011098545-A1 NOVEL 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES AND PRECURSORS THEREOF, HAVING VITAMIN K ACTIVITY NATTOPHARMA ASA (NO) 2011-08-18 WO disclosed