SCHEMBL30003274

SCHEMBL30003274

Cc1cc(OCCO)c2ccccc2c1OCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
HTT P42858 2/20 0.47
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LMNA P02545 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 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
SCHEMBL23271793 1.00 IDO1 (0.51) IDO1HTTALDH1A1RECQLMAPT
SCHEMBL23271981 0.85 HTT (0.45) HTTALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL8208519 0.83 IDO1 (0.56) IDO1HTTALDH1A1RECQLMAPT
SCHEMBL30003324 0.83 CYP2C9 (0.46) HTTALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL23271964 0.83 HTT (0.44) HTTALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL30003499 0.83 HTT (0.44) HTTALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL19612394 0.83 CYP2C9 (0.46) HTTALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL23271895 0.82 KCNA3 (0.47) HTTALDH1A1RECQLMAPTL3MBTL1
SCHEMBL30003089 0.82 KCNA3 (0.47) HTTALDH1A1RECQLMAPTL3MBTL1
SCHEMBL19612246 0.81 S1PR5 (0.47) HTTALDH1A1MAPTL3MBTL1KDM4E

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