SCHEMBL29254396

SCHEMBL29254396

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.42
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2834524 0.78 BBOX1 (0.53) BBOX1
SCHEMBL434755 0.78 TSHR (0.43) BBOX1
Methacrylic Acid SCHEMBL4924752 0.76 BBOX1 (0.45) BBOX1
Hydrochloric Acid SCHEMBL2399402 0.76 TSHR (0.42) BBOX1
Oxalic Acid SCHEMBL1052162 0.75 BBOX1 (0.52) BBOX1
Oxalic Acid SCHEMBL6848374 0.72 BBOX1 (0.50) BBOX1
Oxalic Acid SCHEMBL27941269 0.72 BBOX1 (0.50) BBOX1
Bicarbonate SCHEMBL557717 0.72 BBOX1 (0.54) BBOX1
Itaconate SCHEMBL11055692 0.71 CA4 (0.38) BBOX1MEN1KMT2A
SCHEMBL8329661 0.71 BBOX1 (0.34) BBOX1

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-118076343-A Treatment of vesicant exposure 朱迪思·波士顿 2024-05-24 CN disclosed