SCHEMBL585265

SCHEMBL585265

CC(C(=O)O)c1cc(S)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
PTGS2 P35354 10/20 0.40
PTGS1 P23219 10/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
PDE4D Q08499 1/20 0.40
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 3/20 0.39
CHRM1 P11229 1/20 0.39
LMNA P02545 4/20 0.38
SLC22A6 Q4U2R8 3/20 0.38
CYP2C9 P11712 3/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38

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
SCHEMBL2111868 0.86 APP (0.56) APPPTGS2PTGS1MAPTMEN1
SCHEMBL135272 0.78 APP (0.45) APPPTGS2PTGS1MAPTMEN1
SCHEMBL1679174 0.78 APP (0.53) APPPTGS2PTGS1MAPTMEN1
SCHEMBL2392981 0.72 PTGS1 (0.59) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL15641429 0.72 PTGS1 (0.59) APPPTGS2PTGS1MAPTMEN1
SCHEMBL29538369 0.72 PTGS1 (0.59) APPPTGS2PTGS1MAPTMEN1
SCHEMBL1917129 0.72 PTGS1 (0.59) APPPTGS2PTGS1MAPTMEN1
SCHEMBL23464566 0.71 TSHR (0.32) TSHR
SCHEMBL598280 0.70 PTGS2 (0.61) APPPTGS2PTGS1MAPTMEN1
SCHEMBL1590331 0.70 PTGS2 (0.61) APPPTGS2PTGS1MAPTMEN1

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
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed