SCHEMBL3282929

SCHEMBL3282929

[Li]c1ccc(C(=O)O)c(S(=O)(=O)O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
MAPT P10636 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
TSHR P16473 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL5697528 0.79 ALOX15 (0.44) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL29441334 0.78 CYP2D6 (0.38) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL150520 0.78 CYP2D6 (0.38) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL10951895 0.78 KDM4E (0.41) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL11582987 0.78 CYP2D6 (0.38) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL19742889 0.76 ALOX15 (0.40) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL19742890 0.76 ALOX15 (0.40) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL8099247 0.75 ALOX15 (0.39) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL3145043 0.75 CYP2D6 (0.36) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL6695939 0.73 CYP2D6 (0.44) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10

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-7713674-B2 Emulsion polymerization process XEROX CORPORATION (US) 2010-05-11 US disclosed
US-20070059630-A1 Emulsion polymerization process XEROX CORPORATION 2007-03-15 US disclosed