SCHEMBL6901460

SCHEMBL6901460

CC(=O)N(CCCN)CCCCN(CCCN(C(C)=O)C(C)=O)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
KDM4A O75164 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.33
DOHH Q9BU89 1/20 0.33
CHRM2 P08172 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 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
SCHEMBL6898516 0.96 PAOX (0.39) PAOXLMNAUSP2KDM4AHIF1A
SCHEMBL12901296 0.92 PAOX (0.39) PAOXLMNAUSP2KDM4AHIF1A
SCHEMBL29730915 0.89 PAOX (0.41) PAOXLMNAUSP2KDM4AHIF1A
SCHEMBL6943345 0.87 PAOX (0.44) PAOXLMNAUSP2KDM4AHIF1A
Hydrochloric Acid SCHEMBL19924865 0.85 PAOX (0.41) PAOXLMNAUSP2KDM4AHIF1A
SCHEMBL10448893 0.85 PAOX (0.46) PAOXLMNAKDM4AHIF1ATET2
SCHEMBL9617304 0.83 PAOX (0.50) PAOXLMNAKDM4AHIF1ATET2
SCHEMBL1708094 0.83 PAOX (0.50) PAOXLMNAKDM4AHIF1ATET2
SCHEMBL6546705 0.78 CA12 (0.47) PAOXCHRM2
SCHEMBL5507927 0.77 PAOX (0.55) PAOXLMNAKDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US disclosed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO disclosed
US-20030229141-A1 N-acetyl cysteine and its topical use YU RUEY J (US) 2003-12-11 US disclosed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US disclosed