SCHEMBL3227399

SCHEMBL3227399

C1C2CC3CC1CC(COP(OCC14CC5CC(CC(C5)C1)C4)OCC14CC5CC(CC(C5)C1)C4)(C2)C3

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
GRIN2D O15399 4/20 0.44
GRIN3B O60391 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
GRIN2B Q13224 4/20 0.44
GRIN2C Q14957 4/20 0.44
GRIN3A Q8TCU5 4/20 0.44
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.34
EPHX2 P34913 2/20 0.34
GBA2 Q9HCG7 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3236080 0.78 ALDH1A1 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL5095244 0.76 GRIN2D (0.50) CA12CA1CA2CA9GRIN2D
SCHEMBL197070 0.72 GRIN2D (0.48) CA12CA1CA2CA9GRIN2D
SCHEMBL20612578 0.72 CA12 (0.47) CA12CA1CA2CA9GRIN2D
SCHEMBL1714716 0.72 GRIN2D (0.52) CA12CA1CA2CA9GRIN2D
SCHEMBL197069 0.72 CA12 (0.47) CA12CA1CA2CA9GRIN2D
SCHEMBL855034 0.70 CA12 (0.45) CA12CA1CA2CA9GRIN2D
SCHEMBL3913351 0.70 CA12 (0.45) CA12CA1CA2CA9GRIN2D
Hydrochloric Acid SCHEMBL1715743 0.70 GRIN2D (0.50) CA12CA1CA2CA9GRIN2D
SCHEMBL919840 0.68 CA12 (0.44) CA12CA1CA2CA9GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299509-A1 SILICONE COMPOSITIONS CROSSLINKABLE BY IRRADIATION WITH UV LIGHT WACKER CHEMIE AG (DE) 2020-09-24 US disclosed
EP-3585840-B1 SILICONE COMPOSITIONS THAT CAN BE CROSS-LINKED BY IRRADIATION WITH UV LIGHT WACKER CHEMIE AG (DE) 2020-06-03 EP disclosed
WO-2010009752-A1 CURABLE SILICONE COMPOSITIONS COMPRISING CYCLO-ALKYLPHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 WO disclosed