SCHEMBL29021406

SCHEMBL29021406

CC(=O)c1ccc2oc(-c3ccc(OCc4ccccc4)cc3)cc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.49
ABCB1 P08183 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPN1 P18031 1/20 0.47
MCL1 Q07820 1/20 0.47
HIF1A Q16665 1/20 0.46
PKM P14618 1/20 0.46
PRKDC P78527 1/20 0.45
CREB1 P16220 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL29639599 1.00 MAOB (0.56) MAOBCASP3SENP8SENP7SENP6
SCHEMBL28738874 0.87 CASP3 (0.52) MAOBCASP3SENP8SENP7SENP6
SCHEMBL29639586 0.87 CASP3 (0.52) MAOBCASP3SENP8SENP7SENP6
SCHEMBL29021540 0.85 L3MBTL1 (0.56) MAOBCASP3SENP8SENP7SENP6
SCHEMBL29639593 0.85 L3MBTL1 (0.56) MAOBCASP3SENP8SENP7SENP6
SCHEMBL29639587 0.85 L3MBTL1 (0.52) MAOBCASP3SENP8SENP7SENP6
SCHEMBL28738856 0.85 L3MBTL1 (0.52) MAOBCASP3SENP8SENP7SENP6
SCHEMBL28025287 0.79 ALDH1A1 (0.58) MAOBCASP3SENP8SENP7SENP6
SCHEMBL28655615 0.77 DHODH (0.53) MAOBCASP3SENP8SENP7SENP6
SCHEMBL6176196 0.75 L3MBTL1 (0.59) L3MBTL1MAPTABCB1PTPN1PKM

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-114507201-B Water wampee seed element derivative and preparation method and application thereof 常州大学 2023-06-27 CN disclosed