SCHEMBL29009291

SCHEMBL29009291

CCCCc1c(C=CC(=O)Oc2ccccc2)ccc(O)c1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.44
MAOB P27338 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B10 O60218 4/20 0.40
AKR1B1 P15121 4/20 0.40
ESR1 P03372 1/20 0.38
ALOX5 P09917 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL2931781 0.85 ESR1 (0.47) HTR1AMEN1KMT2AESR1ALOX5
SCHEMBL17459717 0.81 ESR1 (0.49) MAOBESR1ALOX5
SCHEMBL27861984 0.81 ALOX5 (0.48) ESR1ALOX5
SCHEMBL28069016 0.78 MAOB (0.47) HTR1AZDHHC2MAOBMEN1KMT2A
SCHEMBL27983290 0.77 ALOX5 (0.47) HTR1AALOX5
SCHEMBL18035640 0.77 ALOX5 (0.44) ALOX5
SCHEMBL28142591 0.76 CA1 (0.50) ALOX5
SCHEMBL29193720 0.75 MAOB (0.53) MAOBMEN1KMT2AAKR1B10AKR1B1
SCHEMBL8445260 0.74 APP (0.57) AKR1B10AKR1B1
SCHEMBL5606507 0.74 PPARG (0.48) AKR1B10AKR1B1ESR1ALOX5

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-116179509-A Method for synthesizing phenyl acrylate by feruloyl esterase catalysis 广西大学 2023-05-30 CN disclosed