SCHEMBL28211141

SCHEMBL28211141

CCC(CC)CC(CC)CN

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 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
SCHEMBL13286712 0.97 ALDH1A1 (0.52) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL9945578 0.93 ALDH1A1 (0.50) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL14571859 0.83 ALDH1A1 (0.54) ALDH1A1TDP1
SCHEMBL829283 0.83 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL2437271 0.82
SCHEMBL104322 0.82
SCHEMBL4275832 0.82 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL24880069 0.81
SCHEMBL268013 0.81
SCHEMBL2633043 0.81

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-104080881-B Proppant particles and the method that such particle is used in underground application 索尔维特殊聚合物美国有限责任公司 2018-04-27 CN disclosed