SCHEMBL28050152

SCHEMBL28050152

C=C(C)C(=O)OCCNCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGLN1 Q9GZT9 2/20 0.35
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LTA4H P09960 1/20 0.32
CTH P32929 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
SCHEMBL28499341 0.89 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL759918 0.87 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9321905 0.86 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5576921 0.85 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13950019 0.84 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
Glycine SCHEMBL28249576 0.82 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL110870 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23790042 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17298819 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20671321 0.80 ALDH1A1 (0.41) TSHRALDH1A1EGLN1SMN1; SMN2CA1

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
CN-105640798-A Ionic/ionogenic comb copolymer compositions and personal care products containing same 气体产品与化学公司 2016-06-08 CN disclosed
CN-103717628-B Ionic/ionogenic comb copolymer compositions and personal care products containing the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-02-03 CN disclosed