SCHEMBL3967784

SCHEMBL3967784

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n2cc(C#N)ccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
POLB P06746 2/20 0.33
HTR6 P50406 2/20 0.33
MAPT P10636 1/20 0.32
NTRK1 P04629 1/20 0.32
HCRTR2 O43614 1/20 0.31
PPME1 Q9Y570 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ACLY P53396 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3968885 0.92 PPME1 (0.37) RAPGEF4PTGDR2POLBHTR6MAPT
SCHEMBL3967117 0.91 POLB (0.36) RAPGEF4PTGDR2POLBHTR6PPME1
SCHEMBL3967733 0.90 PTGDR2 (0.40) RAPGEF4PTGDR2PPME1MEN1KMT2A
SCHEMBL3973994 0.89 PTGDR2 (0.40) RAPGEF4PTGDR2POLBHTR6MAPT
SCHEMBL3967149 0.89 RAPGEF4 (0.42) RAPGEF4PTGDR2POLBPPME1AKR1C3
SCHEMBL3967602 0.87 RAPGEF4 (0.34) RAPGEF4PTGDR2POLBHTR6PPME1
SCHEMBL3968063 0.84 HTR6 (0.34) RAPGEF4PTGDR2POLBHTR6MAPT
SCHEMBL3964361 0.82 CYP3A4 (0.36) RAPGEF4PTGDR2MAPT
SCHEMBL3968730 0.82 PTGDR2 (0.42) RAPGEF4PTGDR2HTR6PPME1
SCHEMBL3969343 0.82 PTGDR2 (0.39) RAPGEF4PTGDR2HTR6PPME1

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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed