SCHEMBL8930353

SCHEMBL8930353

COc1ccc(CC(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.67
GAA P10253 3/20 0.62
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.58
NFKB1 P19838 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
FABP4 P15090 2/20 0.48
HSD17B10 Q99714 1/20 0.46
CASR P41180 1/20 0.46
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL9724436 0.86 CA5A (0.61) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL8095827 0.86 GAA (0.65) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL1807355 0.82 CDC25A (0.53) CA5AALDH1A1L3MBTL1CDC25ACDC25B
SCHEMBL14097342 0.82 CDC25A (0.53) CA5ATSHRCDC25ACDC25BHIF1A
SCHEMBL1807353 0.82 CDC25A (0.53) CA5AGAAALDH1A1L3MBTL1CDC25A
SCHEMBL8930355 0.81 CA5A (0.55) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL1807376 0.81 CDC25A (0.52) CA5AGAAALDH1A1L3MBTL1CDC25A
SCHEMBL1807379 0.81 CDC25A (0.52) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL17938794 0.80 CA5A (1.00) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL30049382 0.80 GAA (0.74) CA5AGAAALDH1A1TSHRNFKB1

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-5665150-A Dye and ink compositions XEROX CORPORATION (US) 1997-09-09 US disclosed