SCHEMBL8680470

SCHEMBL8680470

COC(=O)c1ccc2cc(C(C)(C)C)ccc2c1O[SiH](C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
CFTR P13569 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
NR1I2 O75469 1/20 0.36
MAPT P10636 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LCK P06239 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 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
SCHEMBL7801806 0.91 KIF11 (0.39) KIF11CFTRALDH1A1KDM4EHPGD
SCHEMBL9043924 0.84 KDM4E (0.39) KIF11CFTRALDH1A1KDM4EHPGD
SCHEMBL8906112 0.78 CFTR (0.43) KIF11CFTRALDH1A1KDM4EHPGD
SCHEMBL17962916 0.76 NR1I2 (0.36) ALDH1A1HPGDNR1I2TDP1
SCHEMBL1680171 0.75 NR1I2 (0.38) KIF11ALDH1A1HPGDNR1I2TDP1
SCHEMBL6063293 0.75 NR1I2 (0.38) KIF11ALDH1A1HPGDNR1I2TDP1
SCHEMBL8715669 0.74 NR1I2 (0.37) KIF11NR1I2
SCHEMBL23645185 0.72 CFTR (0.51) KIF11CFTRALDH1A1KDM4EHPGD
SCHEMBL7517437 0.71 CA1 (0.36) CFTRALDH1A1KDM4EHPGDLMNA
SCHEMBL7924691 0.71 RXRA (0.40) CFTRALDH1A1KDM4EHPGDNPSR1

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