SCHEMBL3396510

SCHEMBL3396510

COc1c(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)cccc1C(NC(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.36
FFAR1 O14842 12/20 0.36
ALPP P05187 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
TACR1 P25103 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
SCHEMBL4088107 0.80 PDCD1 (0.41) FFAR1PDCD1CD274TACR1
SCHEMBL3395701 0.79 PLG (0.39) CTSAFFAR1
SCHEMBL3404871 0.76 CTSA (0.37) CTSAFFAR1TACR1
SCHEMBL1364563 0.74 LMNA (0.38) CTSAFFAR1PDCD1CD274
SCHEMBL3399261 0.74 BRD4 (0.43) PDCD1CD274
SCHEMBL3427833 0.73 HTR7 (0.34) FFAR1PDCD1CD274
SCHEMBL4095202 0.72 EPHX1 (0.45) FFAR1PDCD1CD274TACR1
SCHEMBL4098806 0.71 CHRM3 (0.41) FFAR1FFAR4PDCD1CD274TACR1
SCHEMBL4093359 0.69 MAPT (0.42) TACR1
SCHEMBL1362144 0.68 CD274 (0.41) FFAR1FFAR4PDCD1CD274

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