SCHEMBL6536853

SCHEMBL6536853

CC1(C)Cc2c(C(=O)O)cc(S(=O)(=O)O)c(c2C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL5161787 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL718945 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL760715 0.68 PTPN1 (0.30)
SCHEMBL5172193 0.68 ALDH1A1 (0.46) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL269781 0.67 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL271086 0.67 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL7877835 0.67 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL474979 0.67 CYP1A2 (0.44) ALDH1A1HSD17B10TDP1KMT2ATP53
SCHEMBL1609214 0.66 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL500880 0.66 ALDH1A1 (0.41) ALDH1A1HSD17B10CASP1CASP7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673501-B1 NONMAGNETIC NANOSTRUCTURE PARTICLES COMPRISING POLYMERS AND COLORS, USED FOR GENERATING ELECTROSTATIC LATENT IMAGES XEROX CORPORATION 2004-01-06 US claimed