SCHEMBL8211006

SCHEMBL8211006

CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)O.CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
MAPT P10636 1/20 0.54
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
DNM1 Q05193 1/20 0.49
NAAA Q02083 1/20 0.49
LMNA P02545 4/20 0.48
KDM4E B2RXH2 1/20 0.48
DUSP3 P51452 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2C P28335 1/20 0.48
PLA2G2A P14555 2/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL326500 1.00 DGKA (0.57) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL9791387 0.94 DGKA (0.46) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL7756646 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL22730172 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL1224927 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21384952 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21385002 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21723086 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21384818 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL21384820 0.92 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973492-A1 ANTIPERSPIRANT STICK WITH IMPROVED CHARACTERISTICS Colgate-Palmolive Company (US) 2000-01-26 EP claimed
WO-1998043605-A1 ANTIPERSPIRANT STICK WITH IMPROVED CHARACTERISTICS COLGATE-PALMOLIVE COMPANY (US) 1998-10-08 WO claimed