SCHEMBL4566615

SCHEMBL4566615

CC(C)(C)CC(C(=O)O)n1c(C(F)F)cc2c(Cl)c(C#N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.45
▸ PGR P06401 5/20 0.45
▸ F11 P03951 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ HRH1 P35367 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 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
SCHEMBL2433852 0.84 AR (0.44) ARPGR
SCHEMBL2431292 0.82 AR (0.49) ARPGRF11HRH1CCR3
SCHEMBL2428087 0.78 AR (0.43) ARPGR
SCHEMBL2428149 0.78 AR (0.47) ARPGRF11
SCHEMBL2430915 0.76 AR (0.46) ARPGRF11
SCHEMBL4566616 0.75 AR (0.43) ARPGR
SCHEMBL2435565 0.74 STAT3 (0.41) ARPGR
SCHEMBL4552329 0.74 AR (0.40) ARPGR
SCHEMBL2433297 0.72 AR (0.38) ARPGR
SCHEMBL12292864 0.72 POLB (0.43) ARPGR

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-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 — — EP disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 — — WO disclosed
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