SCHEMBL16082156

SCHEMBL16082156

C=C(CCCCCCCCCCCN)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.44
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
PLG P00747 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41
RECQL P46063 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DNM1 Q05193 5/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38

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
SCHEMBL18929628 1.00 PAOX (0.44) PAOXLMNAMEN1ALDH1A1KMT2A
SCHEMBL8258492 1.00 PAOX (0.44) PAOXLMNAMEN1ALDH1A1KMT2A
SCHEMBL22064891 0.98
SCHEMBL14466067 0.90
SCHEMBL16003068 0.87 ALDH1A1 (0.38) LMNAALDH1A1RECQLTSHR
SCHEMBL10878257 0.80 LMNA (0.44) PAOXLMNAMEN1ALDH1A1KMT2A
SCHEMBL2370162 0.80 LMNA (0.44) PAOXLMNAMEN1ALDH1A1KMT2A
SCHEMBL9831499 0.80 LMNA (0.44) PAOXLMNAMEN1ALDH1A1KMT2A
SCHEMBL14160325 0.79
SCHEMBL1453654 0.78 ALDH1A1 (0.33) LMNAALDH1A1

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
WO-2014145035-A1 METHODS OF MAKING CANCER COMPOSITIONS GENSPERA, INC. (US) 2014-09-18 WO disclosed