SCHEMBL2311124

SCHEMBL2311124

OCCc1cc(CCO)c2c(c1)Sc1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALOX5 P09917 2/20 0.35
NOX1 Q9Y5S8 5/20 0.33
GAA P10253 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 2/20 0.33
SNCA P37840 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN4 P29074 1/20 0.33
PTPN9 P43378 1/20 0.33
PTPN11 Q06124 1/20 0.33
CYBB P04839 1/20 0.33
APP P05067 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL2307233 0.79 ALOX5 (0.37) TDP1ALOX5GAAMAPTCYP4F2
SCHEMBL2307378 0.79 ALOX5 (0.37) TDP1ALOX5GAAMAPTCYP4F2
SCHEMBL2307240 0.78 TDP1 (0.46) TDP1ALOX5NOX1GAAMAPT
SCHEMBL2310017 0.78 ALOX5 (0.42) TDP1ALOX5NOX1GAAMAPT
SCHEMBL2310234 0.77 TDP1 (0.39) TDP1ALOX5NOX1GAAMAPT
SCHEMBL2313275 0.77 TDP1 (0.39) TDP1ALOX5NOX1GAAMAPT
SCHEMBL2311093 0.75 NOX1 (0.49) TDP1NOX1GAAMAPTMEN1
SCHEMBL2315279 0.74 ALOX5 (0.37) TDP1ALOX5NOX1GAAMAPT
SCHEMBL2308436 0.72 ALOX5 (0.35) TDP1ALOX5NOX1GAAMAPT
SCHEMBL30377792 0.71 TP53 (0.37) TDP1ALOX5NOX1GAAMAPT

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
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed