SCHEMBL2310799

SCHEMBL2310799

OCCc1cccc2c1Sc1c(CCO)cccc1S2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
BCHE P06276 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
NOX1 Q9Y5S8 2/20 0.33
CD69 Q07108 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
PTGS2 P35354 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
SCHEMBL2315279 0.96 ALOX5 (0.37) TDP1BCHEGAAMAPTNOX1
SCHEMBL2310017 0.92 ALOX5 (0.42) TDP1BCHEGAAMAPTNOX1
SCHEMBL2307378 0.81 ALOX5 (0.37) TDP1GAAMAPTSLC6A2ALOX5
SCHEMBL2307233 0.81 ALOX5 (0.37) TDP1GAAMAPTSLC6A2ALOX5
SCHEMBL2310234 0.78 TDP1 (0.39) TDP1BCHEGAAMAPTNOX1
SCHEMBL2313040 0.76 NOX1 (0.52) TDP1BCHEGAAMAPTNOX1
SCHEMBL9934471 0.74 ALOX5 (0.44) TDP1BCHEGAAMAPTNOX1
SCHEMBL2313275 0.74 TDP1 (0.39) TDP1BCHEGAAMAPTNOX1
SCHEMBL31121326 0.74 ALOX5 (0.44) TDP1BCHEGAAMAPTNOX1
SCHEMBL2308436 0.74 ALOX5 (0.35) TDP1BCHEGAAMAPTNOX1

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