SCHEMBL2468428

SCHEMBL2468428

CCN(CC)CCCOc1ccccc1C(=O)OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
SCN1A P35498 4/20 0.54
SCN2A Q99250 4/20 0.54
SCN3A Q9NY46 4/20 0.54
MAOB P27338 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHRM2 P08172 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL2469904 0.93 LMNA (0.69) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL12320510 0.85 LMNA (0.56) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL27537998 0.84 LMNA (0.57) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11334557 0.83 ALDH1A1 (0.66) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL11401080 0.83 SCN1A (0.67) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL11345167 0.82 SCN1A (0.65) LMNAKDM4EALDH1A1SCN1ASCN2A
Citric Acid SCHEMBL2469293 0.81 KDM4E (0.58) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL2590580 0.80 SCN1A (0.67) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL30059224 0.80 SCN1A (0.67) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL18224473 0.79 HCRTR1 (0.57) LMNAKDM4EALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 CN disclosed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 CN disclosed
EP-2370406-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS Yu, Chongxi (US) 2011-10-05 EP disclosed
WO-2010065936-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS YU CHONGXI (US) 2010-06-10 WO disclosed