SCHEMBL19971232

SCHEMBL19971232

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
HPGD P15428 1/20 0.45
BBOX1 O75936 2/20 0.38
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX2 P34913 1/20 0.34
THRB P10828 2/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
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
ATM Q13315 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
SCHEMBL19971312 0.94 TSHR (0.41) TSHRHPGDBBOX1ALDH1A1CYP3A4
SCHEMBL19971271 0.90 BBOX1 (0.42) TSHRHPGDBBOX1ALDH1A1CYP3A4
SCHEMBL19971237 0.88 TSHR (0.55) TSHRHPGDBBOX1ALDH1A1CYP3A4
SCHEMBL11510026 0.82 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL19971191 0.82 TSHR (0.51) TSHRHPGDBBOX1ALDH1A1CYP3A4
SCHEMBL19971235 0.81 BBOX1 (0.49) TSHRHPGDBBOX1ALDH1A1CYP3A4
SCHEMBL19971230 0.81 TSHR (0.43) TSHRBBOX1EPHX2THRBMEN1
SCHEMBL19971196 0.81 TSHR (0.49) TSHRHPGDBBOX1ALDH1A1CYP3A4
SCHEMBL19971200 0.78 TSHR (0.35) TSHRHPGDBBOX1EPHX2THRB
SCHEMBL19971254 0.78 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4MEN1

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