SCHEMBL21765865

SCHEMBL21765865

O=C(CBr)O[C@H]1C[C@@H](OCCBr)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL14944752 0.85 ALDH1A1 (0.39) CYP2C19TRPA1ALDH1A1
SCHEMBL21765668 0.77 ALDH1A1 (0.41) CYP2C19TRPA1ALDH1A1
SCHEMBL21765917 0.77 ALDH1A1 (0.41) CYP2C19TRPA1ALDH1A1
SCHEMBL21765664 0.74 SERPINE1 (0.41) CYP2C19TRPA1ALDH1A1
SCHEMBL21765678 0.72 ALDH1A1 (0.44) CYP2C19TRPA1ALDH1A1
SCHEMBL21883836 0.72 ALDH1A1 (0.44) CYP2C19TRPA1ALDH1A1
SCHEMBL28196283 0.72
SCHEMBL2431445 0.69 NAAA (0.50) CYP2C19TRPA1ALDH1A1
SCHEMBL23442259 0.68 CHRNB2 (0.43) ALDH1A1
SCHEMBL23440404 0.68 CHRNB2 (0.43) 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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed