SCHEMBL6633289

SCHEMBL6633289

O=C(O)[C](C(=O)O)C(O)CCCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL6632153 0.85 PTGS1 (0.33) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL6632928 0.84 APP (0.37) APPGPR84FFAR1PTGS1PDE4A
SCHEMBL6634667 0.78 APP (0.38) APPGPR84FFAR1PTGS1PDE4A
SCHEMBL28044916 0.77 GPR84 (0.48) APPGPR84FFAR1PTGS1PDE4A
SCHEMBL16239228 0.73 APP (0.46) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL6275186 0.72 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL6631530 0.72 SLC22A6 (0.36)
SCHEMBL5535320 0.70 APP (0.42) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL18215123 0.69 LTA4H (0.48) APPBLM
SCHEMBL35183 0.69 APP (0.65) APPPTGS1PDE4ALMNASLC6A6

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