SCHEMBL28929344

SCHEMBL28929344

[NaH].c1ccc2c(c1)Oc1ccccc1C2OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
KCNA3 P22001 1/20 0.49
ATM Q13315 2/20 0.45
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CYP2C9 P11712 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL5344047 0.98 MAOA (0.56) MAOAMAOBKCNA3ATMHDAC3
Water SCHEMBL10797327 0.95 MAOA (0.54) MAOAMAOBKCNA3ATMHDAC3
SCHEMBL29988174 0.83 MAOA (0.56) MAOAMAOBKCNA3ATMHDAC3
SCHEMBL1127602 0.79 MAOA (0.52) MAOAMAOBKCNA3ATMHDAC3
SCHEMBL1128361 0.76 KCNA3 (0.57) MAOAMAOBKCNA3ATMHDAC3
SCHEMBL6196306 0.74 MAOA (0.47) MAOAMAOBKCNA3ATMHDAC3
SCHEMBL1527755 0.74 ATM (0.48) MAOAMAOBKCNA3ATMHDAC3
SCHEMBL5679199 0.74 MAOA (0.47) MAOAMAOBKCNA3ATMHDAC3
SCHEMBL171011 0.74 KCNA3 (0.56) MAOAMAOBKCNA3ATMMEN1
SCHEMBL2345234 0.74 MAOA (0.47) MAOAMAOBKCNA3ATMHDAC3

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-113712869-A Essence containing lima bean seed and roselle flower composite extract and preparation method thereof 杭州配方师科技有限公司 2021-11-30 CN disclosed