SCHEMBL537215

SCHEMBL537215

CCC(O)CC(CC)COC(=O)CCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ENPP2 Q13822 4/20 0.42
TRPV1 Q8NER1 1/20 0.42
LPAR6 P43657 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR4 Q99677 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
DGKA P23743 1/20 0.40

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
SCHEMBL9862400 0.87 TSHR (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL10974992 0.85 TSHR (0.64) CYP3A4TSHRATMTDP1LMNA
SCHEMBL1456240 0.85 LMNA (0.57) CYP3A4TSHRATMTDP1LMNA
SCHEMBL27310597 0.83 LMNA (0.60) CYP3A4TSHRATMTDP1LMNA
SCHEMBL536390 0.82 ALDH1A1 (0.56) CYP3A4TSHRATMTDP1LMNA
SCHEMBL536451 0.80 TSHR (0.62) CYP3A4TSHRATMTDP1LMNA
Adipic Acid SCHEMBL8168861 0.79 TSHR (0.87) CYP3A4TSHRATMTDP1LMNA
SCHEMBL28308195 0.79 TSHR (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL789727 0.79 TSHR (0.87) CYP3A4TSHRATMTDP1LMNA
SCHEMBL433435 0.79 TSHR (0.87) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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