SCHEMBL8675809

SCHEMBL8675809

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA9 Q16790 4/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PLA2G1B P04054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
PREP P48147 2/20 0.43
ELANE P08246 1/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL4938350 0.94 CA12 (0.54) CA12CA1CA9NPC1RAB9A
SCHEMBL16527344 0.85 S100A4 (0.46) CA12CA1CA9PREPMAPT
SCHEMBL1885800 0.81 CA12 (0.61) CA12CA1CA9NPC1RAB9A
SCHEMBL1882570 0.81 CA12 (0.61) CA12CA1CA9NPC1RAB9A
SCHEMBL26785501 0.79 MAOA (0.45) CA12CA1CA9NPC1RAB9A
SCHEMBL29853348 0.79 MAOA (0.45) CA12CA1CA9NPC1RAB9A
SCHEMBL10558163 0.78 ALDH1A1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL18493243 0.77 CA12 (0.48) CA12CA1CA9CASP3PREP
SCHEMBL17694399 0.77 CA12 (0.51) CA12CA1CA9PREP
SCHEMBL4645032 0.74 PTPN1 (0.58) CA1CA9NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707559-A PROVIDING A STABLE 1,2-DIOXETANE WHICH FORMS INTERMEDIATE UNSTABLE COMPOUNDS WHEN TRIGGERED TO REMOVE BLOCKING GROUPS BY ACTIVATING AGENT SO THAT UNSTABLE COMPOUND DECOMPOSES TO FORM LIGHT AND TWO CARBONYL COMPOUNDS TROPIX, INC. (US) 1998-01-13 US disclosed
EP-0595369-B1 Alkene compounds TROPIX INC (US) 1996-12-04 EP disclosed
US-5386017-A Can be converted to stable aryl substituted 1,2-dioxetanes which decompose when activated to produce light and carbonyl compounds BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1995-01-31 US disclosed
EP-0254051-B1 Chemiluminescent 1,2-dioxetane compounds UNIV WAYNE STATE (US) 1994-08-31 EP disclosed
EP-0595369-A1 Alkene compounds TROPIX, INC. (US) 1994-05-04 EP disclosed
US-4962192-A Chemiluminescent 1,2-dioxetane compounds BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1990-10-09 US disclosed
US-4857652-A Chemiluminescent 1,2-dioxetane compounds BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1989-08-15 US disclosed
EP-0254051-A2 Chemiluminescent 1,2-dioxetane compounds THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1988-01-27 EP disclosed