SCHEMBL19971337

SCHEMBL19971337

C=C(C)C(=O)NCCC[N+](CCC)(CCC)CCCS(=O)(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
BBOX1 O75936 2/20 0.37
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 1/20 0.33
ENPP2 Q13822 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
CPT1B Q92523 1/20 0.30
EPHX1 P07099 2/20 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
SCHEMBL19971298 0.95 EPHX2 (0.44) EPHX2BBOX1PLA2G2APLA2G4AENPP2
SCHEMBL19971333 0.90 BBOX1 (0.41) EPHX2BBOX1SMN1; SMN2RXFP1
SCHEMBL19971176 0.88 BBOX1 (0.38) EPHX2BBOX1
SCHEMBL35104 0.85 BBOX1 (0.47) EPHX2BBOX1
SCHEMBL19220241 0.84 EPHX2 (0.44) EPHX2PLA2G2ACPT2CPT1ACPT1B
SCHEMBL19971214 0.82 BBOX1 (0.38) EPHX2BBOX1ENPP2
SCHEMBL21545054 0.82 BBOX1 (0.45) EPHX2BBOX1
SCHEMBL19971257 0.81 ZDHHC20 (0.53) EPHX2BBOX1SMN1; SMN2RXFP1EPHX1
Lithium Ion SCHEMBL23607545 0.81 EPHX2 (0.40) EPHX2BBOX1PLA2G2APLA2G4ASMN1; SMN2
SCHEMBL18139610 0.81 EPHX2 (0.40) EPHX2BBOX1PLA2G2APLA2G4ASMN1; SMN2

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