SCHEMBL19971230

SCHEMBL19971230

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
BBOX1 O75936 2/20 0.38
THRB P10828 1/20 0.34
ENPP2 Q13822 3/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GRK2 P25098 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL19971317 0.94 TSHR (0.40) TSHRBBOX1THRB
SCHEMBL19971229 0.90 BBOX1 (0.42) TSHRBBOX1THRB
SCHEMBL19971174 0.88 TSHR (0.56) TSHRBBOX1THRBENPP2EPHX2
SCHEMBL19971222 0.82 TSHR (0.53) TSHRBBOX1THRBENPP2EPHX2
SCHEMBL19971244 0.81 BBOX1 (0.49) TSHRBBOX1THRBMEN1LMNA
SCHEMBL19971232 0.81 TSHR (0.45) TSHRBBOX1THRBEPHX2MEN1
SCHEMBL19971203 0.81 TSHR (0.46) TSHRBBOX1THRBPOLB
SCHEMBL19971250 0.78 TSHR (0.38) TSHRTHRBMEN1LMNAPOLB
SCHEMBL19971190 0.78 TSHR (0.35) TSHRBBOX1ENPP2EPHX2MEN1
SCHEMBL5972974 0.76 TSHR (0.52) TSHRBBOX1THRBENPP2EPHX2

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 5 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-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