SCHEMBL536599

SCHEMBL536599

CCC(CCCCO)COC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CYP3A4 P08684 3/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 2/20 0.41
ALDH1A1 P00352 7/20 0.40
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CA2 P00918 1/20 0.35
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 5/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL427079 0.90 TSHR (0.44) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL1857521 0.89 CYP3A4 (0.57) TSHRCYP3A4ATMTDP1RECQL
Oxalic Acid SCHEMBL29914252 0.87 CYP3A4 (0.55) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL28488194 0.86 ALDH1A1 (0.50) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL11020854 0.85 CYP3A4 (0.62) TSHRCYP3A4ATMTDP1RECQL
Citric Acid SCHEMBL427080 0.83 ALDH1A1 (0.47) TSHRALDH1A1KDM4EHSPD1BLM
SCHEMBL27915432 0.83 HSPD1 (0.43) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL536457 0.83 ALDH1A1 (0.41) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL15512286 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL423298 0.81 ALDH1A1 (0.39) 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 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