SCHEMBL3404871

SCHEMBL3404871

CC(C)(C)C(NC(=O)O)c1cc(F)cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.37
GRM2 Q14416 1/20 0.35
GRM5 P41594 2/20 0.35
FFAR1 O14842 1/20 0.35
PLG P00747 3/20 0.35
PLAU P00749 3/20 0.35
PLAT P00750 3/20 0.35
TACR1 P25103 1/20 0.35
DHODH Q02127 1/20 0.34
ENPP2 Q13822 1/20 0.34
PTGER2 P43116 2/20 0.33
AGXT P21549 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL3395701 0.88 PLG (0.39) CTSAFFAR1PLGPLAUPLAT
SCHEMBL4095280 0.81 TACR1 (0.44) GRM2FFAR1TACR1DHODHENPP2
SCHEMBL3396510 0.76 CTSA (0.36) CTSAFFAR1TACR1
SCHEMBL1363777 0.75 GRM2 (0.37) GRM2FFAR1TACR1DHODHENPP2
SCHEMBL12053374 0.74 TACR1 (0.41) GRM2TACR1ENPP2PTGER2
SCHEMBL4103863 0.72 TACR1 (0.44) FFAR1TACR1DHODHPTGER2
SCHEMBL1362377 0.72 AGXT (0.39) GRM5PLGPLAUPLATPTGER2
SCHEMBL4093359 0.70 MAPT (0.42) TACR1PTGER2
SCHEMBL4098806 0.70 CHRM3 (0.41) FFAR1TACR1PTGER2
SCHEMBL4783563 0.70 PRKCI (0.49) GRM2AGXT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed