SCHEMBL30004203

SCHEMBL30004203

Cc1ccc2c(OCCOc3ccccc3)ccc(OCCOc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.46
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
DRD3 P35462 3/20 0.45
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL23271958 1.00 KCNA3 (0.46) KCNA3DRD2DRD4DRD3POLB
SCHEMBL5286863 0.83 L3MBTL1 (0.55) DRD2DRD4DRD3POLBL3MBTL1
SCHEMBL23271940 0.82 CNR1 (0.47) RAB9ATMEM97
SCHEMBL30003049 0.82 KCNA3 (0.63) KCNA3DRD2DRD4DRD3L3MBTL1
SCHEMBL23271967 0.82 KCNA3 (0.63) KCNA3DRD2DRD4DRD3L3MBTL1
SCHEMBL23271709 0.81 L3MBTL1 (0.47) POLBL3MBTL1MAPTNPC1HPGD
SCHEMBL30004112 0.81 L3MBTL1 (0.47) POLBL3MBTL1MAPTNPC1HPGD
SCHEMBL10618683 0.80 ALDH1A1 (0.46) KCNA3DRD2DRD4DRD3L3MBTL1
SCHEMBL23271868 0.80 DRD2 (0.45) KCNA3DRD2DRD4DRD3L3MBTL1
SCHEMBL30003363 0.80 DRD2 (0.45) KCNA3DRD2DRD4DRD3L3MBTL1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed