SCHEMBL16299236

SCHEMBL16299236

CCC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR3 O14843 1/20 0.32
SOAT1 P35610 1/20 0.31

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
SCHEMBL23543786 0.87 ALDH1A1 (0.36) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL18519830 0.83 CHRM2 (0.33) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL22721335 0.83 CHRM2 (0.35) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL22605042 0.83 CA12 (0.40) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL9074136 0.83 ALDH1A1 (0.39) ALDH1A1TDP1LMNAHSD17B10FFAR3
SCHEMBL20390 0.83 CHRM1 (0.43) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL16683559 0.81 CHRM1 (0.43) ALDH1A1TDP1CHRM2CHRM4CHRM5
Hydrogen Peroxide SCHEMBL7571602 0.80 CHRM2 (0.42) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL545840 0.80 CHRM1 (0.42) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL30844400 0.80 CHRM1 (0.42) ALDH1A1TDP1CHRM2CHRM4CHRM5

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
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed