SCHEMBL17529449

SCHEMBL17529449

C=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ncccc1C

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 19/20 0.67
WNT3A P56704 18/20 0.67
ACHE P22303 1/20 0.42

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
SCHEMBL15980208 0.92 CTNNB1 (0.72) CTNNB1WNT3AACHE
SCHEMBL21441394 0.85 CTNNB1 (0.62) CTNNB1WNT3A
SCHEMBL15980215 0.81 CTNNB1 (0.76) CTNNB1WNT3A
SCHEMBL15988801 0.81 CTNNB1 (0.74) CTNNB1WNT3AACHE
SCHEMBL15980217 0.81 CTNNB1 (0.68) CTNNB1WNT3AACHE
SCHEMBL15968912 0.81 CTNNB1 (1.00) CTNNB1WNT3A
SCHEMBL15980209 0.79 CTNNB1 (0.76) CTNNB1WNT3AACHE
SCHEMBL15969506 0.79 CTNNB1 (1.00) CTNNB1WNT3AACHE
SCHEMBL15979799 0.78 CTNNB1 (0.77) CTNNB1WNT3AACHE
SCHEMBL15969109 0.77 CTNNB1 (0.74) CTNNB1WNT3A

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-2016029021-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES SAMUMED, LLC (US) 2016-02-25 WO disclosed