Squalene

Squalene

SCHEMBL3658689

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.O=C1CCC(=O)N1O

nearest known ligand 0.59

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
SQLE Q14534 7/20 0.52
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 1/20 0.48
UGT1A1 P22309 1/20 0.48
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX5 P09917 1/20 0.44
MAOB P27338 1/20 0.44

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
Squalene SCHEMBL3658690 1.00 KMT2A (0.59) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL120906 0.79 KMT2A (0.48) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL120905 0.79 KMT2A (0.48) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL39067 0.77 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL21823197 0.77 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL23802597 0.77 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL890053 0.77 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21639794 0.77 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL8819997 0.77 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL8013144 0.77 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2219678-B1 NANOPARTICLES OF THERAPEUTIC AGENTS HAVING LOW WATER SOLUBILITY CENTRE NAT RECH SCIENT (FR) 2021-05-19 EP disclosed
EP-2219678-A2 NANOPARTICLES OF THERAPEUTIC AGENTS HAVING LOW WATER SOLUBILITY Centre National de la Recherche Scientifique (FR) 2010-08-25 EP disclosed
WO-2009071850-A2 NANOPARTICLES OF THERAPEUTIC AGENTS HAVING LOW WATER SOLUBILITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-06-11 WO disclosed