SCHEMBL28640944

SCHEMBL28640944

C=C(C(=O)c1ccc(C)cc1)C(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.83
MAPT P10636 7/20 0.83
SMN1; SMN2 Q16637 6/20 0.83
ALDH1A1 P00352 6/20 0.83
NPSR1 Q6W5P4 5/20 0.83
L3MBTL1 Q9Y468 3/20 0.83
KDM4E B2RXH2 1/20 0.83
HPGD P15428 1/20 0.58
POLB P06746 3/20 0.53
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
NPC1 O15118 5/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
ATM Q13315 2/20 0.47
XBP1 P17861 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 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
SCHEMBL21081852 0.91 MAPT (1.00) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL11521612 0.82 POLB (0.58) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL28627570 0.81 ALDH1A1 (0.74) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL28367385 0.80 POLB (0.62) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL28629704 0.78 MAPT (0.69) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL29110239 0.78 POLB (0.60) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL28641204 0.77 MAPT (0.72) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL12001998 0.77 L3MBTL1 (0.69) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL27895847 0.76 MGAM (0.62) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL12002216 0.75 L3MBTL1 (0.65) LMNAMAPTSMN1; SMN2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483474-B Preparation method of 2-methylene-1, 3, 5-triaryl-1, 5-pentanedione 上海应用技术大学 2021-09-28 CN disclosed
CN-110483474-A A kind of preparation method of 2- methylene -1,3,5- triaryl -1,5- pentanedione SHANGHAI INST TECH 2019-11-22 CN disclosed