SCHEMBL31069853

SCHEMBL31069853

CC(=O)c1ccc(OCc2ccccc2)c(I)c1O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
MAOB P27338 3/20 0.56
BRD4 O60885 1/20 0.47
CA9 Q16790 1/20 0.46
GAA P10253 1/20 0.46
FFAR1 O14842 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
FOLH1 Q04609 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL12231213 0.86 MAPT (0.60) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL21668583 0.84 MAPT (0.74) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL701961 0.84 MAPT (1.00) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL29633530 0.84 MAPT (1.00) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL481193 0.84 MAPT (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27705271 0.84 MAPT (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1559781 0.83 MAPT (0.72) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL10245317 0.82 MAPT (0.51) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9123233 0.82 MAPT (0.71) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9909661 0.81 L3MBTL1 (0.69) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515682-A Dolichosin A preparation method and intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN disclosed
CN-118515638-A Dolichosin A and preparation method of intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN disclosed