SCHEMBL28166290

SCHEMBL28166290

NN(CCCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.59
AOC3 Q16853 3/20 0.55
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50

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
SCHEMBL17285436 0.85 AOC3 (0.67) SIGMAR1AOC3
SCHEMBL25711572 0.82 AOC3 (0.75) SIGMAR1AOC3MAOA
SCHEMBL2767287 0.82 KCNH2 (0.50) SIGMAR1AOC3
SCHEMBL11189408 0.81 KCNH2 (0.53) SIGMAR1AOC3
SCHEMBL11193197 0.81 KCNH2 (0.53) SIGMAR1AOC3
SCHEMBL11189119 0.81 KCNH2 (0.53) SIGMAR1AOC3
SCHEMBL11181580 0.80 AOC3 (0.52) AOC3
Hydrochloric Acid SCHEMBL11260429 0.79 KCNH2 (0.51) SIGMAR1AOC3
SCHEMBL28032419 0.79 SIGMAR1 (0.63) SIGMAR1
SCHEMBL833414 0.78 AOC3 (0.64) AOC3

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
CN-105764985-B Compositions of thermosetting resin 三键有限公司 2018-07-03 CN disclosed
CN-107001593-A Hot curing resin composition 三键有限公司 2017-08-01 CN disclosed