SCHEMBL14548967

SCHEMBL14548967

CC(C)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
DNM1 Q05193 1/20 0.34
CNR1 P21554 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 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
CA1 P00915 2/20 0.32
NMT2 O60551 1/20 0.32
NMT1 P30419 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
NAMPT P43490 1/20 0.32
GABRR1 P24046 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL12334999 0.87 ALDH1A1 (0.55) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL8239576 0.85 DNM1 (0.37) ALDH1A1LMNADNM1HPGDKDM4A
Poly(Amidoamine)Dendrimer SCHEMBL13964588 0.85 DNM1 (0.37) ALDH1A1LMNADNM1HPGDKDM4A
SCHEMBL21202619 0.83 TP53 (0.35) ALDH1A1LMNADNM1TP53HTT
SCHEMBL8739595 0.83 ALDH1A1 (0.39) ALDH1A1LMNAPKMDNM1CNR1
SCHEMBL12219612 0.83 KDM4A (0.38) ALDH1A1LMNADNM1HPGDKDM4A
SCHEMBL10081612 0.82 CASP2 (0.46) ALDH1A1DNM1HPGDKDM4AHIF1A
SCHEMBL12946149 0.82 DNM1 (0.40) ALDH1A1LMNADNM1KDM4AHIF1A
SCHEMBL15293155 0.82 PAOX (0.43) ALDH1A1LMNADNM1KDM4AHIF1A
SCHEMBL13254848 0.82 CASP2 (0.46) ALDH1A1DNM1HPGDKDM4AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2543659-A1 DENDRIMERS AS NON-VIRAL VEHICLES FOR GENE THERAPY Universidad De Castilla La Mancha (ES) 2013-01-09 EP disclosed