SCHEMBL4790052

SCHEMBL4790052

C[AsH]CC1Cc2cc(C)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.44
EZH2 Q15910 1/20 0.35
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
S1PR4 O95977 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL4220746 0.85 AQP1 (0.60) AQP1EZH2HRH4HRH3S1PR4
SCHEMBL4220767 0.83 AQP1 (0.64) AQP1EZH2HRH4HRH3S1PR4
SCHEMBL4220770 0.83 AQP1 (0.49) AQP1EZH2HRH4HRH3S1PR4
SCHEMBL6047925 0.83 AQP1 (0.44) AQP1EZH2HRH4HRH3S1PR4
SCHEMBL4789302 0.81 AQP1 (0.45) AQP1EZH2HRH4HRH3S1PR4
SCHEMBL4766477 0.80 AQP1 (0.39) AQP1S1PR4
SCHEMBL4766472 0.79 AQP1 (0.38) AQP1S1PR4RAPGEF4
SCHEMBL4831109 0.78 AQP1 (0.40) AQP1EZH2S1PR4SIRT2
SCHEMBL4231582 0.78 AQP1 (0.40) AQP1EZH2S1PR4
SCHEMBL4231586 0.78 AQP1 (0.42) AQP1EZH2S1PR4SIRT2

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-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed