SCHEMBL30899145

SCHEMBL30899145

CCOC(=O)c1ccc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ENPP2 Q13822 2/20 0.55
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
STS P08842 1/20 0.50
ENPP1 P22413 2/20 0.48
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.46
ENPP3 O14638 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL581359 0.88 KMT2A (0.65) KMT2AMEN1ENPP2GAASMN1; SMN2
SCHEMBL10014912 0.87 MEN1 (0.61) KMT2AMEN1ENPP2L3MBTL1TDP1
SCHEMBL30899146 0.87 MEN1 (0.61) KMT2AMEN1ENPP2L3MBTL1TDP1
SCHEMBL30899144 0.84 MEN1 (0.64) KMT2AMEN1ENPP2GAAL3MBTL1
SCHEMBL9254874 0.80 KDM4E (0.65) KMT2AMEN1GAAL3MBTL1TDP1
SCHEMBL2231773 0.80 KMT2A (0.51) KMT2AMEN1ENPP2GAAL3MBTL1
SCHEMBL19478884 0.79 MEN1 (0.61) KMT2AMEN1ENPP2GAAL3MBTL1
SCHEMBL5865527 0.79 STS (0.52) SMN1; SMN2NPC1RAB9ASTSCA2
SCHEMBL8794066 0.79 MEN1 (0.82) KMT2AMEN1ENPP2GAAL3MBTL1
SCHEMBL11983376 0.79 CA12 (0.59) KMT2AGAAL3MBTL1TDP1SMN1; SMN2

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-118063355-A Preparation method of high-purity adapalene intermediate 6- (p-toluenesulfonyloxy) -2-naphthoate 杭州善礼生物医药科技有限公司 2024-05-24 CN disclosed