SCHEMBL8029013

SCHEMBL8029013

CN(CCCCCNCCO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.44
BCHE P06276 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.41
USP2 O75604 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL8030659 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EBCHELMNA
SCHEMBL7986638 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EBCHELMNA
Hydrochloric Acid SCHEMBL8029202 0.98 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EBCHELMNA
SCHEMBL8034871 0.94 MEN1 (0.49) ALDH1A1HSD17B10KDM4EBCHEMEN1
SCHEMBL7986744 0.94 MEN1 (0.45) ALDH1A1HSD17B10KDM4EBCHEMEN1
SCHEMBL8030791 0.94 MEN1 (0.45) ALDH1A1HSD17B10KDM4EBCHEMEN1
SCHEMBL8034855 0.94 MEN1 (0.45) ALDH1A1HSD17B10KDM4EBCHEMEN1
SCHEMBL8029043 0.92 MEN1 (0.50) ALDH1A1KDM4EBCHEMEN1KMT2A
SCHEMBL8032634 0.92 MEN1 (0.46) ALDH1A1HSD17B10KDM4EBCHEMEN1
SCHEMBL8029031 0.87 MEN1 (0.45) ALDH1A1HSD17B10KDM4EBCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed
EP-0797579-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-10-01 EP disclosed
WO-1996018633-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-06-20 WO disclosed