SCHEMBL15055271

SCHEMBL15055271

CS(=O)(=O)OCCN(CCOS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.51
PAX8 Q06710 1/20 0.51
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
F13A1 P00488 1/20 0.39

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
SCHEMBL15841146 0.99 CCR6 (0.50) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL27483085 0.95 CCR6 (0.47) CCR6PAX8ALDH1A1LMNAPTGDR2
SCHEMBL13661453 0.95 CCR6 (0.47) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL4280634 0.93 PTGDR2 (0.46) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL13661588 0.91 CCR6 (0.53) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL13661577 0.90 CCR6 (0.52) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL27464982 0.89 LMNA (0.52) CCR6PAX8LMNAL3MBTL1CA1
SCHEMBL6558512 0.87 F13A1 (0.48) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL18041390 0.87 CCR6 (0.51) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL27464981 0.87 CCR6 (0.40) CCR6PAX8ALDH1A1LMNAPTGDR2

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
WO-2013094581-A1 NOVEL CAMPTOTHECIN DERIVATIVE 株式会社ヤクルト本社 (JP) 2013-06-27 WO disclosed