SCHEMBL28259795

SCHEMBL28259795

CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ALOX15 P16050 1/20 0.72
GAA P10253 3/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 2/20 0.60
MAPK1 P28482 2/20 0.60
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58

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
SCHEMBL28261242 0.88 ALOX5 (0.78) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL4445035 0.85 ALOX5 (0.74) ALOX5MEN1KMT2AGAAKDM4E
SCHEMBL13953830 0.84 ALOX5 (0.73) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL13953869 0.84 ALOX5 (0.73) ALOX5MEN1KMT2AALOX15GAA
Hydrochloric Acid SCHEMBL30308701 0.84 ALOX5 (0.72) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL28923050 0.84 ALOX5 (0.72) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL28371212 0.83 ALOX5 (0.71) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL13953832 0.82 ALOX5 (0.69) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL13954020 0.82 ALOX5 (0.69) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL6795778 0.81 ALOX5 (0.68) ALOX5MEN1KMT2AALOX15GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114397375-B Method for detecting related substances of arbidol hydrochloride intermediate 石家庄四药有限公司 2022-12-13 CN claimed
CN-114397375-A Method for detecting related substances of arbidol hydrochloride intermediate 石家庄四药有限公司 2022-04-26 CN claimed
CN-114397375-B Method for detecting related substances of arbidol hydrochloride intermediate 石家庄四药有限公司 2022-12-13 CN disclosed
CN-114397375-A Method for detecting related substances of arbidol hydrochloride intermediate 石家庄四药有限公司 2022-04-26 CN disclosed
CN-106083691-B A kind of preparation method of arbidol HCl monohydrate 山东罗欣药业集团恒欣药业有限公司 2018-11-27 CN disclosed