SCHEMBL20079901

SCHEMBL20079901

C=C(CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 15/20 0.81
PKM P14618 1/20 0.69
TSHR P16473 1/20 0.69
WNT3A P56704 10/20 0.68
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
KLF5 Q13887 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
HPGD P15428 1/20 0.61

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
SCHEMBL20079913 0.94 CTNNB1 (0.81) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL20079920 0.91 PKM (0.72) CTNNB1PKMTSHRWNT3AALDH1A1
Dalosirvat SCHEMBL653870 0.90 CTNNB1 (1.00) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL19560214 0.89 CTNNB1 (0.67) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL653025 0.85 PKM (0.87) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL1443787 0.82 PKM (1.00) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL15969410 0.81 CTNNB1 (1.00) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL10027735 0.81 CTNNB1 (0.82) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL20079912 0.81 CTNNB1 (0.81) CTNNB1PKMTSHRWNT3AALDH1A1
SCHEMBL652626 0.80 CTNNB1 (1.00) CTNNB1PKMTSHRWNT3AHPGD

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-3311666-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS Samumed, LLC (US) 2018-04-25 EP disclosed