SCHEMBL13469003

SCHEMBL13469003

CSCCNC(=O)CCC(=O)NCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
CNR1 P21554 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.41
NAMPT P43490 2/20 0.41
HTT P42858 1/20 0.41
CYP2C19 P33261 1/20 0.39
ANPEP P15144 3/20 0.39
RNPEP Q9H4A4 2/20 0.39
DNPEP Q9ULA0 2/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PSMB5 P28074 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
SCHEMBL19125639 0.91 ALDH1A1 (0.52) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL20048862 0.87 ALDH1A1 (0.47) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL24709146 0.87 LMNA (0.53) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL7257878 0.86 ALDH1A1 (0.58) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL10036633 0.86 ALDH1A1 (0.62) ALDH1A1LMNAHPGDGAAKMT2A
SCHEMBL11452609 0.80 ALDH1A1 (0.61) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL13618223 0.79 ALDH1A1 (0.54) ALDH1A1HPGDHTTKMT2ARAB9A
SCHEMBL13004671 0.79 ALDH1A1 (0.50) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL22134253 0.79 LMNA (0.50) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL7750825 0.79 ALDH1A1 (0.55) ALDH1A1LMNAPKMCNR1HPGD

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
US-20120264961-A1 FE3O4-M(AU-LIKE)-NANOPARTICLES FOR ANTIBODY-CONSERVING TARGET-SPECIFIC PLATIN DELIVERY BROWN UNIVERSITY (US) 2012-10-18 US disclosed