SCHEMBL21936682

SCHEMBL21936682

O=C(O)C1=C2C(Br)CCCC2CC=C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL3099639 0.80 ACMSD (0.32) ACMSDHCAR2
SCHEMBL6577746 0.62 ALDH1A1 (0.31)
SCHEMBL1422923 0.62 ALDH1A1 (0.30)
SCHEMBL7404423 0.62 MAPT (0.31)
Hydrochloric Acid SCHEMBL21410155 0.61
SCHEMBL18403605 0.60 ACMSD (0.30) ACMSD
SCHEMBL6435398 0.60 ACMSD (0.30) ACMSD
SCHEMBL3075773 0.59
SCHEMBL3634253 0.58 ALDH1A1 (0.50) ACMSD
SCHEMBL7397754 0.58 HCAR2 (0.41) ACMSDHCAR2

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-2020072835-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2020-04-09 WO disclosed