SCHEMBL536492

SCHEMBL536492

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP3A4 P08684 3/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 5/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CA2 P00918 1/20 0.36
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL536374 0.84 TSHR (0.43) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL2264249 0.82 CYP3A4 (0.49) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL26277306 0.81 TSHR (0.41) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL14270880 0.81 TSHR (0.41) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL536529 0.81 TSHR (0.36) TSHRCYP3A4ATMTDP1FAAH
SCHEMBL702238 0.79 MAPT (0.42) TSHRFAAHALDH1A1MAPT
SCHEMBL15437967 0.79 CYP3A4 (0.64) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL5198333 0.79 CYP3A4 (0.64) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL358454 0.79 CYP3A4 (0.64) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL30350113 0.79 CYP3A4 (0.64) TSHRCYP3A4ATMTDP1RECQL

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-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-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-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