SCHEMBL28545402

SCHEMBL28545402

OCCOc1cccc(Cc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
RECQL P46063 1/20 0.62
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
LTA4H P09960 2/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
PLA2G10 O15496 1/20 0.45
PLA2G2A P14555 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.44
FFAR1 O14842 1/20 0.43
IDH1 O75874 1/20 0.43

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
SCHEMBL31140009 0.87 ALDH1A1 (0.59) ALDH1A1RECQLCYP4F2CYP4A11LTA4H
SCHEMBL14724394 0.83 ALDH1A1 (0.57) ALDH1A1RECQLCYP4F2CYP4A11DRD2
SCHEMBL14356072 0.83 ALDH1A1 (0.69) ALDH1A1RECQLLTA4HGAA
SCHEMBL10878403 0.83 ALDH1A1 (0.69) ALDH1A1RECQLLTA4HGAA
SCHEMBL5253630 0.82 DHFR (0.56) LTA4HBCHEACHEDRD2
SCHEMBL13959274 0.82 LTA4H (0.71) CYP4F2CYP4A11LTA4HBCHEACHE
SCHEMBL4763643 0.82 CYP4F2 (0.70) ALDH1A1RECQLCYP4F2CYP4A11BCHE
Ethylene Glycol SCHEMBL28545403 0.81 TSHR (0.51) ALDH1A1CYP4F2CYP4A11LTA4HFFAR1
SCHEMBL10334435 0.81 CYP4F2 (0.69) ALDH1A1RECQLCYP4F2CYP4A11POLB
SCHEMBL3684546 0.81 BCHE (0.69) ALDH1A1RECQLCYP4F2CYP4A11BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108424952-B Small and dense low-density lipoprotein cholesterol detection kit 天津中成佳益生物科技有限公司 2021-04-20 CN claimed
CN-113308513-B Small and dense low-density lipoprotein cholesterol detection kit and detection method thereof 宁波瑞源生物科技有限公司 2022-02-18 CN disclosed
CN-113308513-A Small and dense low-density lipoprotein cholesterol detection kit and detection method thereof 宁波瑞源生物科技有限公司 2021-08-27 CN disclosed
CN-108424952-B Small and dense low-density lipoprotein cholesterol detection kit 天津中成佳益生物科技有限公司 2021-04-20 CN disclosed