SCHEMBL4374940

SCHEMBL4374940

COc1ccc2c(c1)c(C(C)OS(=O)(=O)c1ccc(C)cc1)c(C)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.43
PTGDR Q13258 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALOX5 P09917 1/20 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
SCHEMBL4374944 0.75 HTR6 (0.60) HTR6PTGDR2PTGDRMAPTPTGS1
SCHEMBL5331999 0.74 HTR6 (0.51) HTR6PTGDR2PTGDRMAPTPOLB
SCHEMBL5332004 0.72 HTR6 (0.58) HTR6PTGDR2PTGDR
SCHEMBL29839894 0.71 GRIK2 (0.53) HTR6PTGDR2PTGDRMAPTPTGS1
SCHEMBL3566087 0.71 HTR6 (0.60) HTR6PTGDR2PTGDR
SCHEMBL29839943 0.70 GRIK2 (0.55) HTR6MAPTPOLBPSEN1PSEN2
SCHEMBL5332897 0.70 HTR6 (0.51) HTR6PTGDR2PTGDR
SCHEMBL18222517 0.69 HTR6 (0.56) HTR6PTGDR2PTGDR
SCHEMBL18239754 0.69 HTR6 (0.57) HTR6PTGDR2PTGDRPOLB
SCHEMBL1888939 0.69 HTR6 (0.64) HTR6

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-2009006089-A2 A2 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO disclosed