SCHEMBL3969206

SCHEMBL3969206

CCOC(=O)Cc1c(C)c(Cc2ccccc2Oc2ccc(F)cc2)n2cc(C#N)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
TBXA2R P21731 3/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PGR P06401 4/20 0.34
SCN9A Q15858 2/20 0.34
MAP2K1 Q02750 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL3968952 0.91 PTGDR2 (0.43) SLC6A4TBXA2RPTGDR2NPSR1SCN9A
SCHEMBL3969463 0.84 PTGDR2 (0.47) PTGS2PTGDR2MEN1KMT2AMAPT
SCHEMBL3962084 0.81 PTGDR2 (0.39) PTGS1PTGS2PTGDR2NPSR1MEN1
SCHEMBL3968970 0.80 PTGDR2 (0.46) PTGS2PTGDR2NPSR1MEN1KMT2A
SCHEMBL3962109 0.79 PTGDR2 (0.39) PTGS2PTGDR2NPSR1MEN1KMT2A
SCHEMBL3968018 0.79 PTGDR2 (0.39) PTGS2PTGDR2NPSR1MEN1KMT2A
SCHEMBL3965620 0.79 PTGDR2 (0.54) PTGDR2
SCHEMBL3969315 0.79 P2RX3 (0.36) PTGDR2MEN1KMT2AL3MBTL1PGR
SCHEMBL3967733 0.77 PTGDR2 (0.40) PTGS2PTGDR2NPSR1MEN1KMT2A
SCHEMBL3968252 0.77 PTGDR2 (0.38) PTGS1PTGS2PTGDR2NPSR1MEN1

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