SCHEMBL6898519

SCHEMBL6898519

CC(=O)NCCCCN(CCCNC(C)=O)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.60
PAOX Q6QHF9 3/20 0.50
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.40
TSHR P16473 1/20 0.40
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4A O75164 1/20 0.36
TET2 Q6N021 1/20 0.36
DOHH Q9BU89 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL6901465 0.98 KDM4E (0.56) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL12244766 0.96 KDM4E (0.58) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL25650255 0.93 KDM4E (0.52) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL13824881 0.92 KDM4E (0.54) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL20261071 0.89 KDM4E (0.52) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL19726708 0.89 PAOX (0.63) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL23961769 0.86 CYP2D6 (0.44) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL18310182 0.85 KDM4E (0.50) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL19726707 0.84 TDP1 (0.58) HIF1AKDM4EMAPK1PAOXADRA1A
SCHEMBL8428056 0.82 KDM4E (0.50) HIF1AKDM4EMAPK1PAOXADRA1A

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