SCHEMBL24612950

SCHEMBL24612950

COC(=O)C1C=C(C[N+](C)(C)C)C=CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 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
SCHEMBL12064869 0.81
SCHEMBL13822065 0.72
SCHEMBL6965861 0.62
SCHEMBL386334 0.61
SCHEMBL8122200 0.61
SCHEMBL28643823 0.61
SCHEMBL11580200 0.61 KEAP1 (0.33)
SCHEMBL22042208 0.60 GPR84 (0.34) ALDH1A1
SCHEMBL2118565 0.60 GPR84 (0.34) ALDH1A1
SCHEMBL14394185 0.60 GPR84 (0.34) ALDH1A1

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
EP-4026860-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE Shin-Etsu Chemical Co., Ltd. (JP) 2022-07-13 EP disclosed