SCHEMBL30601751

SCHEMBL30601751

COc1ccc(Br)cc1O[13CH]1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.48
PDE4A P27815 1/20 0.42
PTPN1 P18031 4/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A4 P31645 2/20 0.39
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SLC6A2 P23975 1/20 0.37
PDE4D Q08499 2/20 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
SCHEMBL28897169 1.00 PDE4B (0.48) PDE4BPDE4APTPN1KDM4ETDP1
SCHEMBL30124787 1.00 PDE4B (0.48) PDE4BPDE4APTPN1KDM4ETDP1
SCHEMBL3603141 0.96 PDE4B (0.52) PDE4BPDE4APTPN1KDM4ETDP1
SCHEMBL2891959 0.94 PDE4B (0.43) PDE4BPDE4APTPN1KDM4ETDP1
SCHEMBL27404540 0.85 MAPK1 (0.38) PDE4BPTPN1TDP1SLC6A4KMT2A
SCHEMBL7710644 0.84 NPY1R (0.39) PDE4BPTPN1NPY1RNPY2R
SCHEMBL7802721 0.84 PTPN1 (0.37) PDE4BPTPN1NPY1RNPY2R
SCHEMBL16518358 0.84 MAPK1 (0.43) PDE4BPTPN1TDP1KMT2ANPY1R
SCHEMBL19304000 0.82 NPC1 (0.46) PDE4BKDM4ETDP1SLC6A4KMT2A
SCHEMBL7712897 0.82 PTGDR2 (0.42) PDE4BPTPN1NPY1RNPY2R

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-115403456-B Method for synthesizing Edwan sweet intermediate 3-hydroxy-4-methoxy phenylpropionaldehyde 成都大学 2023-11-17 CN disclosed