Squalene

Squalene

SCHEMBL27776166

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.OCC(O)CO

nearest known ligand 0.71

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
SQLE Q14534 8/20 0.67
MAPT P10636 2/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
ALOX15 P16050 2/20 0.63
ALDH1A1 P00352 1/20 0.63
UGT1A1 P22309 1/20 0.63
KDM4E B2RXH2 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
ICMT O60725 1/20 0.50

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 SCHEMBL28044623 0.96 KMT2A (0.65) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL28439863 0.90 KMT2A (0.63) KMT2ASQLEMAPTMEN1CYP3A4
Glycerin SCHEMBL28909257 0.87 FNTA (0.58) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL890053 0.84 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL21823197 0.84 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL23802597 0.84 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL8013144 0.84 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21639794 0.84 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL8819997 0.84 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL31125292 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516325-B Method for preparing icariside II, cosmetic composition containing the same and the use thereof for skin whitening AMOREPACIFIC CORP 2012-03-21 CN disclosed
CN-101516325-A Method for preparing icariside II, cosmetic composition containing the same and the use thereof for skin whitening AMOREPACIFIC CORP (KR) 2009-08-26 CN disclosed