SCHEMBL7539880

SCHEMBL7539880

CC(C(=O)O)N1CCCN(C(C)C(=O)O)CCN(C(C)C(=O)O)CCCN(C(C)C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A9 P48067 1/20 0.37
CHRM1 P11229 1/20 0.37
ATM Q13315 1/20 0.37
MAOB P27338 1/20 0.37
RAB9A P51151 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CHRNB2 P17787 4/20 0.36
SLC6A2 P23975 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA4 P43681 4/20 0.36
SLC6A3 Q01959 4/20 0.36
CHRNA1 P02708 3/20 0.36
CHRNG P07510 3/20 0.36
CHRNB1 P11230 3/20 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
SCHEMBL14511367 1.00 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL8095277 0.97
SCHEMBL18669476 0.97
SCHEMBL21983946 0.97
SCHEMBL1785534 0.95 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2ASLC6A9
Hydrochloric Acid SCHEMBL9615009 0.95 LMNA (0.39) KDM4EALDH1A1MEN1KMT2AATM
SCHEMBL4939151 0.92 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AATM
SCHEMBL500405 0.92 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AATM
SCHEMBL30678696 0.92 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AATM
SCHEMBL24220960 0.92 SLC6A9 (0.40) KDM4EALDH1A1MEN1KMT2ASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222886-B2 HEPATOBILIARY NMR CONTRAST AGENTS GEN HOSPITAL CORP (US) 2002-05-02 EP disclosed
EP-0222886-B1 HEPATOBILIARY NMR CONTRAST AGENTS GEN HOSPITAL CORP (US) 1996-09-25 EP disclosed