SCHEMBL17166451

SCHEMBL17166451

COc1ccc(C(OCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
SLC6A11 P48066 3/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A12 P48065 1/20 0.30
SLC6A13 Q9NSD5 1/20 0.30

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
SCHEMBL25764740 0.96 SLC6A1 (0.34) ALDH1A1GAASLC6A11CYP1A2CYP3A4
SCHEMBL2820572 0.96 SLC6A1 (0.34) ALDH1A1GAASLC6A11CYP1A2CYP3A4
SCHEMBL27050962 0.96 SLC6A1 (0.34) ALDH1A1GAASLC6A11CYP1A2CYP3A4
SCHEMBL16329608 0.96 SLC6A1 (0.34) ALDH1A1GAASLC6A11CYP1A2CYP3A4
SCHEMBL2472575 0.93 SLC6A11 (0.35) ALDH1A1GAASLC6A11MEN1TP53
SCHEMBL14005138 0.91 KIF11 (0.32) SLC6A11
SCHEMBL30802594 0.89 SLC6A1 (0.33) SLC6A11
SCHEMBL19448739 0.89 SLC6A1 (0.33) SLC6A11
SCHEMBL8332233 0.89 ALDH1A1 (0.33) ALDH1A1SLC6A11CYP1A2CYP3A4
SCHEMBL29601743 0.88 MAOA (0.34) SLC6A11MEN1KMT2A

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-9156865-B2 System for delivering therapeutic agents into living cells and cells nuclei DELIVERSIR LTD (IL) 2015-10-13 US disclosed