SCHEMBL9700730

SCHEMBL9700730

CCCCCCCCOC(=O)OCC[N+](C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ACHE P22303 3/20 0.58
NAAA Q02083 1/20 0.57
CHRM5 P08912 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 3/20 0.50
ADRA1A P35348 2/20 0.50
LMNA P02545 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
HTR1A P08908 2/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
ADRA2A P08913 1/20 0.50
ESR1 P03372 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CDC25A P30304 1/20 0.50
AGTR1 P30556 1/20 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
SCHEMBL27733399 1.00 RAD52 (0.62) RAD52NPSR1ACHENAAACHRM5
SCHEMBL27753830 1.00 RAD52 (0.62) RAD52NPSR1ACHENAAACHRM5
SCHEMBL9298334 0.98 RAD52 (0.59) RAD52NPSR1ACHENAAACHRM5
SCHEMBL16247238 0.92 RAD52 (0.58) RAD52NPSR1ACHENAAAEPHX1
SCHEMBL1835881 0.85 NAAA (0.67) RAD52NPSR1ACHENAAALMNA
SCHEMBL1839030 0.85 NAAA (0.67) RAD52NPSR1ACHENAAALMNA
SCHEMBL1841329 0.85 NAAA (0.67) RAD52NPSR1ACHENAAALMNA
SCHEMBL1837444 0.85 NAAA (0.67) RAD52NPSR1ACHENAAALMNA
SCHEMBL1838958 0.85 NAAA (0.67) RAD52NPSR1ACHENAAALMNA
SCHEMBL1835519 0.85 NAAA (0.67) RAD52NPSR1ACHENAAALMNA

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
US-5143641-A Bleaching composition LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-09-01 US claimed
EP-0475511-A2 Bleaching composition UNILEVER N.V. (NL) 1992-03-18 EP claimed