SCHEMBL8961590

SCHEMBL8961590

O=C(CC(=O)c1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.82
WNT3A P56704 6/20 0.82
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 1/20 0.62
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.61
MAPT P10636 1/20 0.59
PTGS2 P35354 1/20 0.59
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL2237626 0.92 MEN1 (0.76) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL29458253 0.92 MEN1 (0.76) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL15969410 0.90 CTNNB1 (1.00) CTNNB1WNT3AALDH1A1MAPK1PKM
SCHEMBL10027735 0.90 CTNNB1 (0.82) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL5381632 0.87 MEN1 (0.69) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL26475136 0.86 MEN1 (0.64) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL1660203 0.85 CTNNB1 (0.61) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL29168373 0.84 CTNNB1 (0.63) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL3519624 0.84 RAB9A (0.70) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL1516344 0.83 NPC1 (0.83) CTNNB1WNT3AMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507013-B1 Process for the preparation of aromatic beta-diketones WITCO CORP (US) 1996-02-07 EP disclosed
EP-0507013-A1 Process for the preparation of aromatic beta-diketones WITCO CORPORATION (US) 1992-10-07 EP disclosed
US-5015777-A Reaction of an acetophenone and an aliphatic ester or an ester of benzoic acid in the presence of sodium alkoxide condensation agent in an aromatic solvent WITCO CORPORATION (US) 1991-05-14 US disclosed