SCHEMBL8375320

SCHEMBL8375320

CC(=O)N(CCN(C)C)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.48
CHRM2 P08172 5/20 0.48
CHRM4 P08173 5/20 0.48
CHRM5 P08912 5/20 0.48
CHRM3 P20309 5/20 0.48
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PAOX Q6QHF9 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL20390 0.87 CHRM1 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL11685721 0.85 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL30844400 0.84 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrogen Peroxide SCHEMBL7571602 0.84 CHRM2 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL545840 0.84 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
Water SCHEMBL8069683 0.84 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7758730 0.83 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
Acetic Acid SCHEMBL30753885 0.81 FFAR3 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
Acetic Acid SCHEMBL5526730 0.78 FFAR3 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
Acetic Acid SCHEMBL27684197 0.78 FFAR3 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3

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-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed