Squalane

Squalane

SCHEMBL4258185

CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C.CCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.59
MAPT P10636 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
NAAA Q02083 1/20 0.50
DNM1 Q05193 1/20 0.50
HTR2C P28335 1/20 0.49
LMNA P02545 3/20 0.47
PLA2G2A P14555 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PAM P19021 2/20 0.46
ACE2 Q9BYF1 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
Squalane SCHEMBL6469522 1.00 DGKA (0.59) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL8579215 1.00 DGKA (0.59) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL14809605 0.95 DGKA (0.57) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL14809734 0.95 DGKA (0.57) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL3871682 0.94 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21384952 0.94 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL10081308 0.94 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21384820 0.94 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21057101 0.94 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21723086 0.94 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3

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-20090041875-A1 Anti-wrinkle composition SHISEIDO COMPANY, LTD. (JP) 2009-02-12 US disclosed
EP-1870094-A1 ANTIWRINKLE AGENT Shiseido Company, Limited (JP) 2007-12-26 EP disclosed