SCHEMBL19971174

SCHEMBL19971174

C=C(C)C(=O)OCCC[N+](CCCC)(CCCC)CCCS(=O)(=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
THRB P10828 1/20 0.40
BBOX1 O75936 2/20 0.37
ENPP2 Q13822 4/20 0.36
ALDH1A1 P00352 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 2/20 0.33
SLC22A1 O15245 1/20 0.32
NAAA Q02083 1/20 0.32
ACHE P22303 1/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 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
SCHEMBL19971222 0.95 TSHR (0.53) TSHRTHRBBBOX1ENPP2ALDH1A1
SCHEMBL19971203 0.90 TSHR (0.46) TSHRTHRBBBOX1POLBAPEX1
SCHEMBL19971230 0.88 TSHR (0.43) TSHRTHRBBBOX1ENPP2POLB
SCHEMBL16799129 0.85 BBOX1 (0.47) TSHRTHRBBBOX1POLBAPEX1
SCHEMBL5972974 0.83 TSHR (0.52) TSHRTHRBBBOX1ENPP2RAD52
SCHEMBL13655572 0.82 TSHR (0.77) TSHRTHRBALDH1A1RAD52NPSR1
SCHEMBL19971317 0.82 TSHR (0.40) TSHRTHRBBBOX1
Tetrabuthylammonium SCHEMBL9405095 0.82 TSHR (0.54) TSHRTHRBENPP2ALDH1A1RAD52
SCHEMBL19971270 0.81 TSHR (0.47) TSHRTHRBBBOX1ALDH1A1POLB
SCHEMBL19971237 0.81 TSHR (0.55) TSHRTHRBBBOX1ALDH1A1NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530286-B2 Sulfobetaine-based protein aggregation inhibitor for use in preventing aggregation of a protein OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2022-12-20 US disclosed
US-10995160-B2 Protein aggregation inhibitor OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2021-05-04 US disclosed
US-20200332044-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2020-10-22 US disclosed
US-20190161563-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2019-05-30 US disclosed
US-20180118859-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2018-05-03 US disclosed
EP-3296314-A1 PROTEIN AGGREGATION INHIBITOR Osaka Organic Chemical Industry Ltd. (JP) 2018-03-21 EP disclosed