SCHEMBL11287302

SCHEMBL11287302

C=C(CCCCS(=O)(=O)O)C(=O)O.C=C(CCCS(=O)(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
APP P05067 1/20 0.38
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
TET2 Q6N021 3/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 1/20 0.30
EPHX2 P34913 1/20 0.30
APEX1 P27695 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
SCHEMBL21344 0.98 APP (0.39) TBXAS1APPPTGS1PDE4ALMNA
SCHEMBL3218325 0.96 TBXAS1 (0.40) TBXAS1APPPTGS1PDE4ALMNA
Ammonia Solution, Strong SCHEMBL828485 0.96 APP (0.38) TBXAS1APPPTGS1PDE4ALMNA
SCHEMBL153933 0.96 TBXAS1 (0.40) TBXAS1APPPTGS1PDE4ALMNA
SCHEMBL717246 0.96 TBXAS1 (0.40) TBXAS1APPPTGS1PDE4ALMNA
SCHEMBL22984 0.96 APP (0.41) TBXAS1APPPTGS1PDE4ALMNA
SCHEMBL9574853 0.94 APP (0.39) TBXAS1APPPTGS1PDE4ALMNA
Ammonia Solution, Strong SCHEMBL5050825 0.94 APP (0.39) TBXAS1APPPTGS1PDE4ALMNA
SCHEMBL15646946 0.94 APP (0.39) TBXAS1APPPTGS1PDE4ALMNA
SCHEMBL15859186 0.94 APP (0.39) TBXAS1APPPTGS1PDE4ALMNA

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
EP-0052730-A1 Pressure sensitive copy materials BASF Aktiengesellschaft (DE) 1982-06-02 EP disclosed