SCHEMBL30003499

SCHEMBL30003499

COCCOc1cc(C)c(OCCOC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MAPT P10636 6/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
LMNA P02545 1/20 0.43
KDM1A O60341 3/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MPO P05164 1/20 0.36
NCF1 P14598 4/20 0.36

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
SCHEMBL23271964 1.00 HTT (0.44) HTTMAPTL3MBTL1LMNAKDM1A
SCHEMBL23271895 0.85 KCNA3 (0.47) HTTMAPTL3MBTL1LMNATSHR
SCHEMBL30003089 0.85 KCNA3 (0.47) HTTMAPTL3MBTL1LMNATSHR
SCHEMBL23271981 0.85 HTT (0.45) HTTMAPTL3MBTL1LMNAGAA
SCHEMBL30003324 0.83 CYP2C9 (0.46) HTTMAPTL3MBTL1LMNAGAA
SCHEMBL30003274 0.83 IDO1 (0.51) HTTMAPTL3MBTL1LMNAMAPK1
SCHEMBL23271793 0.83 IDO1 (0.51) HTTMAPTL3MBTL1LMNAMAPK1
SCHEMBL19612394 0.83 CYP2C9 (0.46) HTTMAPTL3MBTL1LMNAGAA
SCHEMBL8200684 0.82 LMNA (0.49) HTTMAPTLMNAKDM1ATSHR
SCHEMBL19612190 0.81 CNR1 (0.43) HTTRAB9A

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