SCHEMBL29158554

SCHEMBL29158554

CC(=O)CC(=O)COc1ccccc1.[CaH2]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
GPR174 Q9BXC1 1/20 0.46

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
SCHEMBL2222064 0.98 ALOX15 (0.59) ALOX15MTNR1AMTNR1BKMT2AMEN1
Zinc Ion SCHEMBL30753804 0.96 ALOX15 (0.57) ALOX15MTNR1AMTNR1BKMT2AMEN1
SCHEMBL29158553 0.96 ALOX15 (0.57) ALOX15MTNR1AMTNR1BKMT2AMEN1
Calcium SCHEMBL30753803 0.96 ALOX15 (0.57) ALOX15MTNR1AMTNR1BKMT2AMEN1
SCHEMBL15396047 0.86 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL9824596 0.82 ALOX15 (0.69) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL29158551 0.82 TDP1 (0.46) MAPTL3MBTL1HPGDSMN1; SMN2RAB9A
SCHEMBL7746 0.82 ALOX15 (0.68) ALOX15MTNR1AMTNR1BKMT2AMEN1
SCHEMBL3898377 0.82 ALOX15 (0.74) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL15777617 0.81 ALOX15 (0.57) ALOX15KMT2AMEN1ALPLALPI

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
CN-117447319-A 1- (substituted benzene) oxy-2, 4-pentanedione compound or salt thereof and application thereof as PVC stabilizer 武汉埃迪鑫新材料科技有限公司 2024-01-26 CN disclosed