SCHEMBL28038870

SCHEMBL28038870

C=C(CC(=O)O)C(=O)OC(C1CO1)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5161229 0.83 ALDH1A1 (0.33) ALOX15HSD17B10ALDH1A1
SCHEMBL9858094 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3858384 0.75 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1
SCHEMBL221572 0.74 ALDH1A1 (0.61) ALDH1A1
Methane SCHEMBL5161235 0.72 ALDH1A1 (0.59) ALDH1A1
SCHEMBL5161226 0.70 ALDH1A1 (0.37) ALDH1A1
Propane SCHEMBL9858098 0.70 ALDH1A1 (0.60) ALDH1A1
SCHEMBL481426 0.70 ALOX15 (0.39) ALOX15HSD17B10ALDH1A1
SCHEMBL481422 0.68 ALOX15 (0.38) ALOX15HSD17B10ALDH1A1
SCHEMBL9858089 0.68 ALDH1A1 (0.35) ALDH1A1

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-105384912-A Itaconic-acid-based cyclic silicon framework epoxy resin, preparation method and application to preparing paint with epoxy resin as matrix resin NINGBO INST MAT TECH & ENG CAS 2016-03-09 CN disclosed