SCHEMBL536563

SCHEMBL536563

CCC(CCC(C)OC(=O)CCCCC(=O)O)COC(=O)CCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.42
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
LPAR3 Q9UBY5 6/20 0.40
LPAR1 Q92633 3/20 0.40
ENPP2 Q13822 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LPAR2 Q9HBW0 2/20 0.39
TLR2 O60603 2/20 0.38

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
SCHEMBL536451 0.85 TSHR (0.62) CYP3A4TSHRATMTDP1LMNA
SCHEMBL9862400 0.83 TSHR (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL433435 0.82 TSHR (0.87) CYP3A4TSHRATMTDP1LMNA
Adipic Acid SCHEMBL8168861 0.82 TSHR (0.87) CYP3A4TSHRATMTDP1LMNA
SCHEMBL789727 0.82 TSHR (0.87) CYP3A4TSHRATMTDP1LMNA
SCHEMBL28308195 0.82 TSHR (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL537169 0.81 LMNA (0.50) CYP3A4TSHRATMTDP1LMNA
SCHEMBL10974992 0.81 TSHR (0.64) CYP3A4TSHRATMTDP1LMNA
SCHEMBL790237 0.81 TSHR (0.84) CYP3A4TSHRATMTDP1LMNA
Sebacic Acid SCHEMBL22973773 0.81 TSHR (0.84) CYP3A4TSHRATMTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP claimed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO claimed
EP-2705879-B1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION HENKEL AG & CO KGAA (DE) 2017-06-07 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed
EP-2480193-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP disclosed
EP-2480192-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED Henkel AG & Co. KGaA (DE) 2012-08-01 EP disclosed
EP-2413890-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
WO-2011036081-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed
WO-2011036082-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed