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Sugi Predict / Compounds / SCHEMBL13327112

SCHEMBL13327112

SCHEMBL13327112

CN(CCCN(CCCCN(CC(CCCCCCOS(C)(=O)=O)CN(CCCCN(CCCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CTSK P43235 1/20 0.31

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
SCHEMBL16349574 0.85 CA14 (0.46) CA14
SCHEMBL13327111 0.84 CA14 (0.42) CA14CTSK
SCHEMBL27160377 0.84 LMNA (0.46) CA14KDM4EUSP2ALDH1A1LMNA
SCHEMBL1924375 0.84 LMNA (0.46) CA14KDM4EUSP2ALDH1A1LMNA
SCHEMBL17998104 0.84 LMNA (0.46) CA14KDM4EUSP2ALDH1A1LMNA
SCHEMBL1109837 0.84 LMNA (0.46) CA14KDM4EUSP2ALDH1A1LMNA
SCHEMBL13327116 0.83 CA14 (0.39) CA14CTSK
SCHEMBL8130163 0.82 KDM4E (0.47) CA14KDM4EUSP2ALDH1A1LMNA
SCHEMBL16349525 0.80 CA14 (0.41) CA14CTSK
SCHEMBL13359964 0.80 CA14 (0.46) CA14KDM4ECTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 — — US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 — — US disclosed