SCHEMBL15345218

SCHEMBL15345218

CSC(=O)CCCCCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.58
LMNA P02545 3/20 0.54
KMT2A Q03164 3/20 0.54
THRB P10828 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PLG P00747 1/20 0.54
ALOX15 P16050 1/20 0.54
SLC6A2 P23975 1/20 0.54
RECQL P46063 1/20 0.54
SLC6A3 Q01959 1/20 0.54
CYP2D6 P10635 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
DNM1 Q05193 4/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40

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
SCHEMBL26656786 0.97
SCHEMBL15345219 0.90
SCHEMBL9236583 0.79 LMNA (0.59) PAOXLMNAKMT2ATHRBMEN1
SCHEMBL8427109 0.77 PAOX (0.54) PAOXLMNAKMT2AMEN1ALDH1A1
SCHEMBL22756799 0.77 CES2 (0.59) KMT2AMEN1ALDH1A1ALOX15TSHR
SCHEMBL3160273 0.77 CES2 (0.59) KMT2AMEN1ALDH1A1ALOX15TSHR
SCHEMBL13636538 0.77 CES2 (0.59) KMT2AMEN1ALDH1A1ALOX15TSHR
SCHEMBL7937351 0.77 CES2 (0.59) KMT2AMEN1ALDH1A1ALOX15TSHR
SCHEMBL25753802 0.77 CES2 (0.59) KMT2AMEN1ALDH1A1ALOX15TSHR
SCHEMBL10937134 0.77 CES2 (0.59) KMT2AMEN1ALDH1A1ALOX15TSHR

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-20130280766-A1 HYBRID POLYKETIDE SYNTHASES THE REGENTS OF THE UNVERSITY OF CALIFORNIA (US) 2013-10-24 US disclosed