SCHEMBL26487463

SCHEMBL26487463

C=C(C)C(=O)OCCN(CCC)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.32
DNM1 Q05193 1/20 0.31
TP53 P04637 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
SCHEMBL16159994 0.93 THRB (0.52) TSHRTHRBALDH1A1CA2POLB
SCHEMBL27707440 0.87 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9360239 0.86 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL345460 0.81 TSHR (0.56) TSHRTHRBALDH1A1CA12CA2
SCHEMBL4981730 0.81 THRB (0.49) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12346273 0.80 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL22215976 0.79 THRB (0.50) TSHRTHRBALDH1A1CA2POLB
SCHEMBL17773282 0.79 THRB (0.50) TSHRTHRBALDH1A1CA2POLB
SCHEMBL20146696 0.79 CA12 (0.33) TSHRALDH1A1CA12CA2CA9
SCHEMBL16407299 0.79 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1

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-4050072-B1 MANUFACTURING METHODS OF DECORATIVE SURFACES AGFA NV (BE) 2023-10-11 EP disclosed