SCHEMBL1498094

SCHEMBL1498094

O=C(O)CCCCC(=O)OCCCCCCCOC(=O)CCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 5/20 0.57
LMNA P02545 2/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
DGKA P23743 1/20 0.56
PAM P19021 2/20 0.50
NPC1 O15118 1/20 0.50
GPR84 Q9NQS5 4/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC11 Q96DB2 4/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL367922 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL3271708 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7060947 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7060027 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL1505824 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7057890 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL3271705 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7055904 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7053726 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7057407 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNANFKB1PMP22

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-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
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