SCHEMBL30003094

SCHEMBL30003094

CCCCOc1ccc(O)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.69
CNR1 P21554 4/20 0.55
CNR2 P34972 4/20 0.55
SLC2A1 P11166 1/20 0.51
CYP2C9 P11712 2/20 0.50
KCNH2 Q12809 3/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ESR1 P03372 1/20 0.47
HTR1B P28222 1/20 0.45

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
SCHEMBL2023403 1.00 IDO1 (0.69) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL8665665 0.95 IDO1 (0.67) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL30003478 0.95 IDO1 (0.67) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL9159529 0.93 IDO1 (0.65) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL11212682 0.93 IDO1 (0.65) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL23271770 0.93 IDO1 (0.65) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL7567863 0.93 IDO1 (0.65) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL11209324 0.93 IDO1 (0.65) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL2051306 0.93 IDO1 (0.65) IDO1CNR1CNR2SLC2A1CYP2C9
SCHEMBL23271782 0.93 IDO1 (0.65) IDO1CNR1CNR2SLC2A1CYP2C9

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