SCHEMBL3968672

SCHEMBL3968672

CCOC(=O)Cc1c(C)c(Cc2ccccc2S(=O)(=O)c2ccc(Cl)cc2Cl)n2cc(C#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.40
HTT P42858 1/20 0.35
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
TRPV4 Q9HBA0 4/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SLC2A2 P11168 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3967596 0.91 PTGDR2 (0.50) PTGDR2AKR1C3AKR1C2TRPV4TRPM8
SCHEMBL3965620 0.86 PTGDR2 (0.54) PTGDR2
SCHEMBL3969463 0.83 PTGDR2 (0.47) PTGDR2MEN1KMT2APTGS2MAPT
SCHEMBL3962099 0.78 PTGDR2 (0.40) PTGDR2AKR1C3AKR1C2PTGS2MAPT
SCHEMBL3964361 0.78 CYP3A4 (0.36) PTGDR2MAPT
SCHEMBL3973023 0.77 PTGDR2 (0.66) PTGDR2
SCHEMBL3967149 0.75 RAPGEF4 (0.42) PTGDR2AKR1C3AKR1C2KMT2APOLB
SCHEMBL3968063 0.75 HTR6 (0.34) PTGDR2AKR1C3AKR1C2POLBSMN1; SMN2
SCHEMBL3962084 0.74 PTGDR2 (0.39) PTGDR2MEN1KMT2APTGS2KDM4E
SCHEMBL3969206 0.74 SLC6A4 (0.37) PTGDR2MEN1KMT2APOLBPTGS2

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