SCHEMBL28855115

SCHEMBL28855115

CC1=Nc2cccc(C)c2C1(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
MYC P01106 1/20 0.32
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL31461336 0.74 MEN1 (0.55) KMT2AMEN1ALDH1A1GAA
SCHEMBL1049879 0.74 MEN1 (0.55) KMT2AMEN1ALDH1A1GAA
Phosphoric Acid SCHEMBL29008757 0.72 MEN1 (0.46) KMT2AMEN1ALDH1A1TDP1L3MBTL1
Iodide SCHEMBL27944610 0.72 MEN1 (0.53) KMT2AMEN1ALDH1A1GAA
SCHEMBL15108863 0.72 ALDH1A1 (0.39) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28279986 0.71 MEN1 (0.38) KMT2AMEN1
SCHEMBL28972004 0.71 MEN1 (0.40) KMT2AMEN1ALDH1A1GAA
SCHEMBL29082977 0.67 MEN1 (0.34) KMT2AMEN1
SCHEMBL29066619 0.66 NR4A2 (0.43) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL29170436 0.66 NPSR1 (0.37) KMT2AMEN1ALDH1A1KDM4EGAA

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
CN-105733564-B A kind of Ratiometric fluorescent probe sensitive Mitochondrially targeted pH and its preparation method and application 郑州大学 2018-01-05 CN disclosed