SCHEMBL13875466

SCHEMBL13875466

CC(C)CC(C(=O)OCCN(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
DNM1 Q05193 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
LMNA P02545 2/20 0.34
GBA1 P04062 1/20 0.33
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 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
SCHEMBL9054595 0.81 CHRM1 (0.46) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL13690140 0.80 TSHR (0.36) CHRNB2CHRNA4ALDH1A1CHRNB4CHRNA3
SCHEMBL10069154 0.80 HCAR2 (0.37) CHRM1LMNAALDH1A1MMP1MMP2
SCHEMBL18597535 0.79 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL13946436 0.79 TSHR (0.34) CA12CA1CA2CA9MMP1
SCHEMBL14108247 0.78 CHRM1 (0.50) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL13537882 0.77 ATM (0.46) SMN1; SMN2CA1CA2NPSR1ALDH1A1
SCHEMBL13537881 0.76 MMP8 (0.41) LMNAALDH1A1CYP3A4CYP2C19GAA
SCHEMBL14748186 0.76 TSHR (0.45) SMN1; SMN2CA1CA2ALDH1A1MMP1
SCHEMBL12234620 0.75 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4

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
EP-2042312-A2 Processing method of lithographic printing plate precursor FUJIFILM Corporation (JP) 2009-04-01 EP disclosed