SCHEMBL3967967

SCHEMBL3967967

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cc(C#N)ccn12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
POLB P06746 1/20 0.34
RAPGEF4 Q8WZA2 4/20 0.33
DDR1 Q08345 1/20 0.32
TRPV4 Q9HBA0 4/20 0.32
HIF1A Q16665 1/20 0.32
ELANE P08246 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PPME1 Q9Y570 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
SCHEMBL3968600 0.91 PTGDR2 (0.41) PTGDR2RAPGEF4DDR1TRPV4PPME1
SCHEMBL3963643 0.91 PTGDR2 (0.42) PTGDR2POLBRAPGEF4PPME1
SCHEMBL3967117 0.83 POLB (0.36) PTGDR2POLBRAPGEF4DDR1HIF1A
SCHEMBL3968540 0.81 PTGDR2 (0.47) PTGDR2RAPGEF4PPME1
SCHEMBL13881877 0.79 PTGDR2 (0.42) PTGDR2RAPGEF4DDR1
SCHEMBL4636239 0.77 PTGDR2 (0.35) PTGDR2
SCHEMBL3968885 0.75 PPME1 (0.37) PTGDR2POLBRAPGEF4ELANEPPME1
SCHEMBL3969343 0.75 PTGDR2 (0.39) PTGDR2RAPGEF4PPME1
SCHEMBL3967784 0.75 RAPGEF4 (0.35) PTGDR2POLBRAPGEF4PPME1
SCHEMBL3967733 0.74 PTGDR2 (0.40) PTGDR2RAPGEF4PPME1

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-2009044134-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed