SCHEMBL19971247

SCHEMBL19971247

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.35
EPHX2 P34913 1/20 0.34
TGFBR1 P36897 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ENPP2 Q13822 3/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PLA2G2C Q5R387 1/20 0.30
SLC22A1 O15245 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
SCHEMBL19971217 0.95 BBOX1 (0.35) BBOX1EPHX2TGFBR1
SCHEMBL19971256 0.91 BBOX1 (0.39) BBOX1TGFBR1
SCHEMBL19971245 0.85 BBOX1 (0.43) BBOX1TGFBR1MEN1LMNAPOLB
SCHEMBL19971303 0.84 MEN1 (0.32) BBOX1TGFBR1MEN1LMNAPOLB
SCHEMBL19971296 0.82 EPHX2 (0.36) BBOX1EPHX2MEN1LMNAPOLB
SCHEMBL19971298 0.81 EPHX2 (0.44) BBOX1EPHX2MEN1LMNAPOLB
SCHEMBL19971214 0.79 BBOX1 (0.38) BBOX1EPHX2TGFBR1MEN1LMNA
SCHEMBL19971327 0.79 TGFBR1 (0.33) TGFBR1
SCHEMBL19971190 0.79 TSHR (0.35) BBOX1EPHX2MEN1LMNAPOLB
SCHEMBL19971209 0.78 TGFBR1 (0.33) TGFBR1

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