SCHEMBL13595406

SCHEMBL13595406

C#CCCc1ccc(OCCOCCOCCN)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41
▸ SLCO1B1 Q9Y6L6 1/20 0.41
▸ APP P05067 8/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PLA2G2A P14555 1/20 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
SCHEMBL12313958 0.80 CA12 (0.49) LTA4HAPPTAAR1PLA2G2A
SCHEMBL24629374 0.79 MAOB (0.45) APPTAAR1
SCHEMBL1263392 0.79 LTA4H (0.46) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL21100939 0.78 KEAP1 (0.55) LTA4HAPPTAAR1PLA2G2A
Hydrochloric Acid SCHEMBL1262643 0.78 MAOB (0.45) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL17806191 0.75 MEN1 (0.71) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL17806184 0.75 MEN1 (0.71) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL23798500 0.75 APP (0.49) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL23799321 0.75 LTA4H (0.49) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL23291296 0.73 APP (0.61) MEN1USP2ALDH1A1LMNACYP3A4

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-7638558-B2 drug loaded micelle of a triblock polymer tert-butylphenylsilylpropene-polyethylene glycol-b-poly(tert-butylaspartic acid-b-polyphenylalanine-copoly( tert-buyltyrosine) has a drug-loaded inner core, a crosslinked outer core, and a hydrophilic shell INTEZYNE TECHNOLOGIES, INC. (US) 2009-12-29 — — US disclosed
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