SCHEMBL28575436

SCHEMBL28575436

CCOC(=O)Cc1ccccc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TBXAS1 P24557 1/20 0.49
P2RX3 P56373 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
RIPK1 Q13546 1/20 0.49
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
HRH1 P35367 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL9429974 0.91 SLC6A4 (0.54) SLC6A2SLC6A4CYP2D6SLC6A3TBXAS1
SCHEMBL2558706 0.88 SLC6A4 (0.54) SLC6A2SLC6A4CYP2D6SLC6A3TBXAS1
SCHEMBL1146416 0.88 HTR2A (0.54) SLC6A2SLC6A4SLC6A3TBXAS1TSHR
SCHEMBL2557868 0.88 TBXAS1 (0.46) SLC6A2SLC6A4CYP2D6SLC6A3TBXAS1
SCHEMBL28575420 0.88 SLC6A2 (0.46) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL11092566 0.87 TSHR (0.44) SLC6A2SLC6A4CYP2D6SLC6A3TBXAS1
SCHEMBL9429751 0.86 TBXAS1 (0.44) SLC6A2SLC6A4CYP2D6SLC6A3TBXAS1
SCHEMBL28571472 0.85 LTA4H (0.51) SLC6A2SLC6A4TSHRRIPK1MAPT
SCHEMBL6651903 0.85 SLC6A4 (0.56) SLC6A2SLC6A4CYP2D6SLC6A3TBXAS1
SCHEMBL13921687 0.85 CYP4F2 (0.61) SLC6A2SLC6A4CYP2D6SLC6A3P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN claimed
CN-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed