SCHEMBL15988890

SCHEMBL15988890

O=C(CCC(=O)c1ncccc1O)c1ccc2[nH]ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 12/20 0.67
▸ WNT3A P56704 12/20 0.67
▸ ACHE P22303 4/20 0.43
▸ HTR4 Q13639 4/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PRKCI P41743 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ F2 P00734 1/20 0.40

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
SCHEMBL15988717 0.87 CTNNB1 (0.67) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15988800 0.87 CTNNB1 (0.65) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15988720 0.87 CTNNB1 (0.67) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15988724 0.84 CTNNB1 (0.69) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15988705 0.84 CTNNB1 (0.69) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15980101 0.83 CTNNB1 (0.74) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15969098 0.80 CTNNB1 (1.00) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15979921 0.79 CTNNB1 (0.71) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15979917 0.78 CTNNB1 (0.74) CTNNB1WNT3AACHEHTR4SIGMAR1
SCHEMBL15969364 0.77 CTNNB1 (1.00) CTNNB1WNT3AACHEHTR4SIGMAR1

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-2014130869-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED, LLC (US) 2014-08-28 — — WO disclosed
Send feedback