SCHEMBL6632153

SCHEMBL6632153

O=C(O)[C](C(=O)O)C(O)CCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
APEX1 P27695 1/20 0.32
APP P05067 1/20 0.31
TET2 Q6N021 3/20 0.30
KDM4A O75164 2/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
TET3 O43151 1/20 0.30

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
SCHEMBL6633289 0.85 APP (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL6631711 0.82 PTGS1 (0.33) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL6631530 0.76 SLC22A6 (0.36) TET2TET3
SCHEMBL668994 0.71 ENPEP (0.30)
SCHEMBL6634667 0.70 APP (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL27361078 0.70 CA14 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11145137 0.70 PTGS1 (0.31) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1819524 0.69
SCHEMBL28404349 0.68 PTGS1 (0.30) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL6632928 0.68 APP (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19

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-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed