SCHEMBL2823682

SCHEMBL2823682

CC1(C)OB(c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.56
LPL P06858 10/20 0.56
F11 P03951 2/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ESR2 Q92731 1/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL3181906 0.89 LPL (0.60) LIPGLPLF11F2PRSS1
SCHEMBL1640431 0.87 LIPG (0.43) LIPGLPLF11F2PRSS1
SCHEMBL20540359 0.82 CA1 (0.43) LIPGLPLF11CA1CA2
SCHEMBL20841744 0.81 CA1 (0.43) LIPGLPLF11CA1CA2
SCHEMBL20841728 0.81 CA1 (0.43) LIPGLPLF11CA1CA2
SCHEMBL25619880 0.80 SNCA (0.38) LIPGLPLF11F2PRSS1
SCHEMBL15905496 0.80 CA1 (0.42) LIPGLPLF11CA1CA2
SCHEMBL20841763 0.80 LPL (0.42) LIPGLPLF11CA1CA2
SCHEMBL21092937 0.79 LPL (0.40) LIPGLPLF11ESR2
SCHEMBL3321210 0.79 LIPG (0.67) LIPGLPLF11F2PRSS1

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-107641507-B Crosslinking agent and preparation method and application thereof 中国石油化工股份有限公司 2020-10-23 CN disclosed
CN-107641509-B Crosslinking agent and preparation method and application thereof 中国石油化工股份有限公司 2020-10-20 CN disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 WO disclosed