SCHEMBL8445213

SCHEMBL8445213

CC1(C)OB(c2cccc(OCCCBr)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.48
LIPG Q9Y5X9 9/20 0.48
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DGAT1 O75907 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL1561441 0.93 LIPG (0.46) LPLLIPGMAOAMAOBCA1
SCHEMBL2801619 0.90 LPL (0.51) LPLLIPGMAOBTSHR
SCHEMBL18124821 0.90 LIPG (0.50) LPLLIPGCA1CA2CA9
SCHEMBL4602862 0.87 LPL (0.49) LPLLIPGCA1CA2CA9
SCHEMBL13453433 0.87 LPL (0.59) LPLLIPGTSHR
SCHEMBL23078522 0.86 LIPG (0.48) LPLLIPGCA1CA2CA9
SCHEMBL31150275 0.86 LPL (0.48) LPLLIPGMAOBTSHR
SCHEMBL1830523 0.86 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL2979968 0.86 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL4513327 0.85 LPL (0.47) LPLLIPGCA1CA2CA9

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
WO-2021043116-A1 BIPHENYL COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-03-11 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed