SCHEMBL25625945

SCHEMBL25625945

C=C(C)C(=O)NCCC[N+](C)(C)CC(O)CCS(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.35
PSMD14 O00487 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
SLC22A16 Q86VW1 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
SCHEMBL25625935 0.89 PSMD14 (0.31) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
SCHEMBL23542775 0.89 SLC22A16 (0.31) SLC22A16
Sulfuric Acid SCHEMBL9490561 0.86 TGFBR1 (0.34) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
SCHEMBL20511719 0.84 BBOX1 (0.40) BBOX1
SCHEMBL35104 0.84 BBOX1 (0.47) BBOX1
SCHEMBL717860 0.83 BBOX1 (0.42) BBOX1
SCHEMBL12985168 0.83 SLC22A16 (0.36) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
SCHEMBL25625947 0.82 KMT2A (0.40) BBOX1PSMD14PLA2G1BHSP90AA1MMP2
SCHEMBL6979509 0.82 KMT2A (0.31)
SCHEMBL23565477 0.82 KMT2A (0.31)

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
US-20230183515-A1 COATING COMPOSITION, USE AND METHODS FOR MAKING A SUBSTRATE FROST RESISTANT SOLVAY SA (BE) 2023-06-15 US disclosed