SCHEMBL19971235

SCHEMBL19971235

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.49
TSHR P16473 7/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL867206 0.87 BBOX1 (0.47) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL35503 0.87 TSHR (0.47) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL16799372 0.85 TSHR (0.50) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL16799079 0.84 TSHR (0.53) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL18151644 0.84 TSHR (0.53) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL16798999 0.84 TSHR (0.53) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL16799087 0.84 TSHR (0.53) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL16798995 0.84 TSHR (0.53) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL16971017 0.82 TSHR (0.42) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL19971271 0.82 BBOX1 (0.42) BBOX1TSHRHPGDALDH1A1CYP3A4

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