SCHEMBL2469904

SCHEMBL2469904

CCN(CC)CCOc1ccccc1C(=O)OC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.69
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 3/20 0.69
SCN1A P35498 4/20 0.51
SCN2A Q99250 4/20 0.51
SCN3A Q9NY46 4/20 0.51
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD3 P35462 1/20 0.48
MCHR1 Q99705 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAOB P27338 2/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2468428 0.93 LMNA (0.60) LMNAKDM4EALDH1A1SCN1ASCN2A
Citric Acid SCHEMBL2469293 0.88 KDM4E (0.58) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL383924 0.86 ALDH1A1 (0.68) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL11807946 0.84 ALDH1A1 (0.74) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL12320510 0.84 LMNA (0.56) LMNAKDM4EALDH1A1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL11672178 0.83 ALDH1A1 (0.65) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL11338177 0.82 ALDH1A1 (0.76) LMNAKDM4EALDH1A1SCN1ASCN2A
SCHEMBL27537998 0.82 LMNA (0.57) LMNAKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8340067 0.81 LMNA (0.70) LMNAKDM4EALDH1A1SCN1ASCN2A
Hydrochloric Acid SCHEMBL11671640 0.81 ALDH1A1 (0.74) LMNAKDM4EALDH1A1SCN1ASCN2A

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 7 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-113636965-A High penetration composition and application thereof 于崇曦 2021-11-12 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
CN-111808011-A High penetration composition and application thereof 于崇曦 2020-10-23 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