SCHEMBL19971270

SCHEMBL19971270

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.35
POLB P06746 2/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BBOX1 O75936 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GRK2 P25098 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19971314 0.95 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971276 0.92 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971250 0.89 TSHR (0.38) TSHRTHRBPOLBMEN1LMNA
SCHEMBL19971255 0.85 TSHR (0.31) TSHRBBOX1
SCHEMBL19971272 0.84 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971332 0.83 TSHR (0.49) TSHRTHRBPOLBBBOX1ALDH1A1
SCHEMBL19971231 0.81 TSHR (0.36) TSHRTHRB
SCHEMBL19971174 0.81 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971195 0.79 TSHR (0.38) TSHRTHRB
SCHEMBL19971212 0.79 EPHX2 (0.35) POLBBBOX1MEN1LMNAGRK2

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