SCHEMBL2784124

SCHEMBL2784124

OCCCCNc1ccc(NCCCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
PRSS1 P07477 8/20 0.54
F2 P00734 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
TMPRSS6 Q8IU80 2/20 0.52
ST14 Q9Y5Y6 2/20 0.52
KCNH3 Q9ULD8 4/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL10785116 0.91 ALDH1A1 (0.56) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL21256822 0.89 ALDH1A1 (0.65) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL14972359 0.89 ALDH1A1 (0.55) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL6228804 0.89 ALDH1A1 (0.55) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL7794052 0.89 ALDH1A1 (0.55) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL23961126 0.89 KCNH3 (0.66) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL28270197 0.88 ALDH1A1 (0.70) ALDH1A1PRSS1KCNH3MAPTKDM4E
SCHEMBL4167977 0.88 ALDH1A1 (0.70) ALDH1A1PRSS1KCNH3MAPTKDM4E
SCHEMBL18570164 0.87 ALDH1A1 (0.62) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL1719575 0.87 ALDH1A1 (0.53) ALDH1A1PRSS1F2PRSS2PRSS3

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-2010060818-A1 ALKOXYLATED OLIGOAMINES OR POLYAMINES AS OXIDATION STABILIZERS BASF SE (DE) 2010-06-03 WO disclosed