SCHEMBL5180686

SCHEMBL5180686

CC(C)CCCCC(=O)OCC(C)(C)CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 4/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DGKA P23743 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
P2RY10 O00398 1/20 0.33
GPR34 Q9UPC5 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33

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
SCHEMBL11104131 0.98 MAPT (0.39) MAPTCYP3A4TSHRATMTDP1
SCHEMBL29926571 0.98 MAPT (0.39) MAPTCYP3A4TSHRATMTDP1
SCHEMBL9654101 0.95 PTPN1 (0.36) MAPTCYP3A4TSHRATMTDP1
SCHEMBL2129736 0.91 MAPT (0.40) MAPTCYP3A4TSHRATMTDP1
SCHEMBL1235404 0.90 MAPT (0.42) MAPTCYP3A4TSHRATMTDP1
SCHEMBL29361777 0.90 MAPT (0.42) MAPTCYP3A4TSHRATMTDP1
SCHEMBL274635 0.88 DGKA (0.42) MAPTCYP3A4TSHRATMTDP1
SCHEMBL1897736 0.86 MAPT (0.39) MAPTCYP3A4TSHRATMTDP1
SCHEMBL29227497 0.86 DGKA (0.45) MAPTTSHRLMNAKDM4EDUSP3
SCHEMBL21143366 0.86 DGKA (0.45) MAPTTSHRLMNAKDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417955-B1 HUMECTANT AND COSMETICS AND EXTERNAL PREPARATIONS CONTAINING THE SAME NISSHIN OILLIO GROUP LTD (JP) 2007-09-05 EP disclosed
US-20040191282-A1 Hemectant and cosmetics and internal preparations containing the same THE NISSHIN OILLIO GROUP, LTD. (JP) 2004-09-30 US disclosed
EP-1417955-A1 HUMECTANT AND COSMETICS AND EXTERNAL PREPARATIONS CONTAINING THE SAME The Nisshin OilliO, Ltd. (JP) 2004-05-12 EP disclosed
EP-0863192-B1 HUMECTANT COMPOSITION, BASE CONTAINING THE SAME, AND COSMETIC MATERIAL OR EXTERNAL PREPARATION CONTAINING SAID HUMECTANT COMPOSITION NISSHIN OIL MILLS LTD (JP) 2003-12-17 EP disclosed
US-6416771-B1 CONTAINING WATER SOLUBLE POLYHYDRIC ALCOHOL, LECITHIN AND 3-METHYL-1,3-BUTANEDIOL THE NISSHIN OIL MILLS LTD. (JP) 2002-07-09 US disclosed
US-6117434-A POLYHYDRIC ALCOHOL, LECITHIN, AND 3-METHYL-1,3-BUTANEDIOL; STABILITY; MOISTURIZERS THE NISSHIN OIL MILLS LTD. (JP) 2000-09-12 US disclosed
EP-0863192-A1 HUMECTANT COMPOSITION, BASE CONTAINING THE SAME, AND COSMETIC MATERIAL OR EXTERNAL PREPARATION CONTAINING SAID HUMECTANT COMPOSITION THE NISSHIN OIL MILLS, LTD. (JP) 1998-09-09 EP disclosed
US-5096606-A Automobile air conditioning; ozone layer KAO CORPORATION (JP) 1992-03-17 US disclosed