SCHEMBL28893583

SCHEMBL28893583

COc1cc(CO)cc(COc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
ABCB1 P08183 3/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
BCHE P06276 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL29961843 1.00 MAOB (0.56) MAOBABCB1CYP4F2CYP4A11BCHE
SCHEMBL13332739 0.88 MAOB (0.70) MAOBABCB1BCHEMRGPRX4
SCHEMBL6035513 0.87 MAOB (0.65) MAOBABCB1CYP4F2CYP4A11BCHE
SCHEMBL23718 0.85 MAOB (0.62) MAOBABCB1CYP4F2CYP4A11BCHE
SCHEMBL24951300 0.84 MAOB (0.46) MAOBABCB1
SCHEMBL16687445 0.81 ENPP2 (0.56) MAOBSMN1; SMN2MRGPRX4TP53PKM
SCHEMBL16687446 0.81 ENPP2 (0.58) MAOBSMN1; SMN2MRGPRX4TSHRRAB9A
SCHEMBL3271153 0.80 CYP4F2 (0.61) MAOBCYP4F2CYP4A11BCHESMN1; SMN2
SCHEMBL31139315 0.80 MAOB (0.53) MAOBABCB1CYP4F2CYP4A11BCHE
SCHEMBL15761339 0.80 APP (0.61) MAOBCYP4F2CYP4A11BCHESMN1; SMN2

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-115368239-B Synthesis and pharmaceutical application of cinnamate derivative 南开大学 2024-04-26 CN disclosed
CN-115368239-A Synthesis of cinnamate derivative and pharmaceutical application thereof 南开大学 2022-11-22 CN disclosed