SCHEMBL28191966

SCHEMBL28191966

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL19971271 0.84 BBOX1 (0.42) BBOX1SMN1; SMN2RXFP1
SCHEMBL19971229 0.76 BBOX1 (0.42) BBOX1SMN1; SMN2RXFP1
SCHEMBL19888880 0.76 BBOX1 (0.46) BBOX1ATM
SCHEMBL19971312 0.75 TSHR (0.41) BBOX1
SCHEMBL19971232 0.75 TSHR (0.45) BBOX1ATM
Potassium Ion SCHEMBL28378481 0.74 ATM (0.44) BBOX1SMN1; SMN2ATM
SCHEMBL10887108 0.74 ATM (0.44) BBOX1SMN1; SMN2ATM
Water SCHEMBL28454356 0.74 ATM (0.39) ATM
Water SCHEMBL28445619 0.74 ATM (0.36) ATM
SCHEMBL28853998 0.73

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531748-A Protein aggregation inhibitor 大阪有机化学工业株式会社 2018-01-02 CN disclosed