SCHEMBL28052298

SCHEMBL28052298

CCCCCCCCCCCCCCOC(=O)N(C)C.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
CHRNB2 P17787 3/20 0.52
CHRNA4 P43681 3/20 0.52
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 3/20 0.50
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
DNM1 Q05193 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 4/20 0.46

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
SCHEMBL28052373 1.00 NAAA (0.55) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL27915971 0.98 NAAA (0.57) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL8372851 0.98 NAAA (0.57) NAAACHRNB2CHRNA4CHRM2CHRM4
Ammonia Solution, Strong SCHEMBL27850802 0.96 NAAA (0.55) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12807165 0.96 CHRNB2 (0.56) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL8908162 0.89 CHRNB2 (0.58) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL8372848 0.89 CHRNB2 (0.62) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL18723203 0.84 CHRNB2 (0.45) NAAACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL11024623 0.82 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL18723209 0.81 CHRNB2 (0.45) NAAACHRNB2CHRNA4CHRM2CHRM4

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-105234006-A Method for synchronous floatation, desulfuration and desilicication of high-sulfur bauxite ALUMINUM CORP OF CHINA LTD 2016-01-13 CN disclosed