SCHEMBL3743596

SCHEMBL3743596

CC(C)Oc1ccc(-c2noc(-c3ccc(/C=C/C(=O)O)cc3)n2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.60
MINK1 Q8N4C8 3/20 0.60
DYRK3 O43781 1/20 0.58
MARK3 P27448 1/20 0.58
PLK1 P53350 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
PRKCD Q05655 1/20 0.57
S1PR1 P21453 17/20 0.57
S1PR3 Q99500 7/20 0.55
S1PR5 Q9H228 1/20 0.53

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
SCHEMBL1969630 1.00 MAP4K4 (0.60) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1969626 1.00 MAP4K4 (0.60) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1967809 0.90 MAP4K4 (0.56) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1967806 0.90 MAP4K4 (0.56) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1967804 0.90 MAP4K4 (0.56) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1969686 0.85 MAP4K4 (0.60) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL3746333 0.83 MAP4K4 (0.63) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL3741171 0.82 MAP4K4 (0.65) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL3741047 0.82 S1PR1 (0.73) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL12450219 0.81 MAP4K4 (0.62) MAP4K4MINK1DYRK3MARK3PLK1

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
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US claimed