SCHEMBL4338768

SCHEMBL4338768

COC(=O)c1ccc(C)c(C(C)(C)C)c1O[SiH3]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA5A P35218 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 5/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL7517437 0.82 CA1 (0.36) CA1CA2CA9CA5ACA12
SCHEMBL12593308 0.73 CA1 (0.49) CA1CA2CA9CA5ACA12
SCHEMBL9850875 0.72 CA1 (0.44) CA1CA2CA9CA5ACA12
SCHEMBL17877001 0.69 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL27437763 0.69 TSHR (0.53) CA1CA2CA9CA5ACA12
SCHEMBL18512401 0.68 CFTR (0.50) CA1CA2CA9CA12CA7
SCHEMBL27622559 0.68 CA1 (0.50) CA1CA2CA9CA5ACA12
SCHEMBL7857065 0.68 CA1 (0.36) CA1CA2CA9CA5ACA12
SCHEMBL6852879 0.67 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL13206086 0.67 KIF11 (0.48) CA1CA2CA9CA12CA7

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
EP-2048140-A1 Deuterated chemiluminescent 1,2-dioxetanes Giri, Brij P. (US) 2009-04-15 EP disclosed
EP-1453822-A4 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2004-11-24 EP disclosed
EP-1453822-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES Giri, Brij P. (US) 2004-09-08 EP disclosed
WO-2003054506-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ PAL (US) 2003-07-03 WO disclosed