SCHEMBL1629698

SCHEMBL1629698

CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
EPHX1 P07099 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL1626948 1.00 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ATHRB
SCHEMBL14278870 1.00 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ATHRB
SCHEMBL20365467 0.95 MEN1 (0.46) ALDH1A1TDP1MEN1KMT2ATHRB
SCHEMBL20129062 0.95 MEN1 (0.48) ALDH1A1TDP1MEN1KMT2ATHRB
SCHEMBL20129268 0.95 MEN1 (0.45) ALDH1A1TDP1MEN1KMT2ATHRB
SCHEMBL27097954 0.93 MEN1 (0.44) ALDH1A1TDP1MEN1KMT2ATHRB
SCHEMBL9841873 0.91 MEN1 (0.50) ALDH1A1TDP1MEN1KMT2ASPHK2
SCHEMBL15686649 0.91 MEN1 (0.50) ALDH1A1TDP1MEN1KMT2ASPHK2
SCHEMBL14971389 0.91 MEN1 (0.50) ALDH1A1TDP1MEN1KMT2ASPHK2
SCHEMBL3103625 0.91 MEN1 (0.50) ALDH1A1TDP1MEN1KMT2ASPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110093246-A1 Modeling Systems for Consumer Goods STANTON DAVID THOMAS 2011-04-21 US disclosed
EP-2013826-A2 MODELING SYSTEMS FOR CONSUMER GOODS The Procter and Gamble Company (US) 2009-01-14 EP disclosed
US-20080040082-A1 Modeling systems for consumer goods THE PROCTER & GAMBLE COMPANY 2008-02-14 US disclosed
US-20080027575-A1 Modeling systems for health and beauty consumer goods PROCTER & GAMBLE COMPANY, THE 2008-01-31 US disclosed
WO-2007122582-A2 MODELING SYSTEMS FOR CONSUMER GOODS THE PROCTER & GAMBLE COMPANY (US) 2007-11-01 WO disclosed