SCHEMBL3765751

SCHEMBL3765751

CCCCC(CC)COCCOCCOCCOCCOCC(CC)CCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.71
ALDH1A1 P00352 7/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
CA2 P00918 3/20 0.42
RECQL P46063 1/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PLA2G2C Q5R387 1/20 0.36

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
SCHEMBL1839353 1.00 CYP3A4 (0.71) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL11905467 1.00 CYP3A4 (0.71) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL1835296 0.98 CYP3A4 (0.74) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL29886916 0.96 CYP3A4 (0.72) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL20725831 0.96 CYP3A4 (0.67) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
Ethylene SCHEMBL15254964 0.96 CYP3A4 (0.67) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL1710091 0.96 CYP3A4 (0.67) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL8639816 0.94 CYP3A4 (0.70) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL8644393 0.94 CYP3A4 (0.70) CYP3A4ALDH1A1L3MBTL1MMP9MMP8
SCHEMBL19050763 0.94 CYP3A4 (0.70) CYP3A4ALDH1A1L3MBTL1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728998-B2 Glyceryl ethers as preservatives for cooling lubricants AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2014-05-20 US claimed
US-20080171679-A1 GLYCERYL ETHERS AS PRESERVATIVES FOR COOLING LUBRICANTS AIR LIQUIDE, SANTE (FR) 2008-07-17 US claimed
US-8728998-B2 Glyceryl ethers as preservatives for cooling lubricants AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2014-05-20 US disclosed
US-7846885-B2 Glyceryl ethers as preservatives for cooling lubricants AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2010-12-07 US disclosed
US-20080171679-A1 GLYCERYL ETHERS AS PRESERVATIVES FOR COOLING LUBRICANTS AIR LIQUIDE, SANTE (FR) 2008-07-17 US disclosed
US-7268102-B2 Glyceryl ethers as preservatives for cooling lubricants AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2007-09-11 US disclosed
US-20070197414-A1 Glyceryl ethers as preservatives for cooling lubricants AIR LIQUIDE, SANTE (INTERNATIONAL) (FR) 2007-08-23 US disclosed
US-20030232729-A1 Glyceryl ethers as preservatives for cooling lubricants AIR LIQUIDE, SANTE (INTERNATIONAL) (FR) 2003-12-18 US disclosed
EP-1369471-A1 Glyceryl ethers as preservatives for cooling lubricants Air Liquide Santé (International) (FR) 2003-12-10 EP disclosed