SCHEMBL30003085

SCHEMBL30003085

CCCOc1ccc(O)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.71
CNR1 P21554 4/20 0.54
CNR2 P34972 4/20 0.54
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.43
SLC2A1 P11166 1/20 0.43
JAK2 O60674 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HTR1B P28222 1/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.41
MITF O75030 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
SCHEMBL2023756 1.00 IDO1 (0.71) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL30003094 0.91 IDO1 (0.69) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL2023403 0.91 IDO1 (0.69) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL30003478 0.89 IDO1 (0.67) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL8665665 0.89 IDO1 (0.67) IDO1CNR1CNR2MEN1KMT2A
Succinic Acid SCHEMBL10380384 0.89 IDO1 (0.58) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL991493 0.89 IDO1 (0.56) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL29502706 0.88 CNR1 (0.58) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL10604272 0.88 CNR1 (0.58) IDO1CNR1CNR2MEN1KMT2A
SCHEMBL23271782 0.88 IDO1 (0.65) IDO1CNR1CNR2MEN1KMT2A

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