SCHEMBL29133215

SCHEMBL29133215

O=C1Oc2ccccc2CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 1/20 0.45
HDAC9 Q9UKV0 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
HTR2B P41595 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2C P28335 1/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL754484 0.79 MAOA (0.38) MAOAMAOBHDAC9NFKB1NFKB2
SCHEMBL21248511 0.79 MAOB (0.38) MAOAMAOBHDAC9NFKB1NFKB2
SCHEMBL21847988 0.77 CFTR (0.37) MAOBGAACFTRGOPCMAPK1
SCHEMBL2985677 0.76 MAOA (0.35) MAOAMAOBHDAC9NFKB1NFKB2
SCHEMBL28923532 0.74 MAOA (0.38) MAOAMAOB
SCHEMBL7783926 0.74 MAOA (0.43) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL31015957 0.74 MAOA (0.43) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL28616256 0.74 MAOA (0.43) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL9846586 0.74 EGFR (0.40) GAACFTRGOPCMAPK1SMN1; SMN2
SCHEMBL29798795 0.74 MAOA (0.43) MAOAMAOBNFKB1NFKB2RELA

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-117025817-A SNP molecular marker related to rutin content of mulberry leaves and application thereof 广东省农业科学院蚕业与农产品加工研究所 2023-11-10 CN disclosed