SCHEMBL27827652

SCHEMBL27827652

CCCC[Sn](CCCC)(CCCC)c1c[c]cc(OC)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
AHR P35869 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
SCHEMBL5953070 0.80 ALDH1A1 (0.44) PTGS2AHR
SCHEMBL27759243 0.76
SCHEMBL27755790 0.76 PTGS2 (0.32) PTGS2
SCHEMBL1255316 0.75 ACHE (0.41)
SCHEMBL12502665 0.73 CYP11B1 (0.35) PTGS2
SCHEMBL1097013 0.73 CA1 (0.44) AHR
SCHEMBL16954667 0.73 AHR (0.53) AHR
SCHEMBL16951752 0.70 PTGS2 (0.49) PTGS2AHR
SCHEMBL63193 0.69 ALDH1A1 (0.59) PTGS2AHR
SCHEMBL17046422 0.67 AHR (0.42) AHR

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
CN-101909658-A Application and preparation method of novel compound with affinity to amyloid NIHON MEDIPHYSICS CO LTD 2010-12-08 CN disclosed