SCHEMBL7598808

SCHEMBL7598808

COC(=C1C2CC3CC(C2)CC1C3)c1ccc2cc(O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.43
F12 P00748 1/20 0.38
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7603629 0.96 ESR1 (0.43) ESR1F12ESR2MEN1KMT2A
SCHEMBL9043472 0.87 SLC6A3 (0.41) ESR1NPC1RAB9ASLC6A4SLC6A3
SCHEMBL8860947 0.87 SLC6A3 (0.41) ESR1NPC1RAB9ASLC6A4SLC6A3
SCHEMBL7598473 0.86 KDM4E (0.46) ESR1NPC1RAB9ASLC6A2SLC6A4
SCHEMBL8854606 0.85 ESR1 (0.52) ESR1
SCHEMBL8749295 0.83 KDM4E (0.44) ESR1MEN1NPC1RAB9AKMT2A
SCHEMBL8058782 0.82 FAAH (0.43) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL734321 0.82 FAAH (0.43) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL7602742 0.80 EPHX2 (0.41) ESR1MEN1NPC1RAB9AKMT2A
SCHEMBL9616262 0.79 PLAU (0.38) ESR1ESR2MEN1KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-6417380-B1 POLYCYCLOALKYL KETONE CONTAINING FLUORESCENT CHROMOPHORE IS ALKYLATED TO POLYCYCLOALKYLIDENE ETHER IN PRESENCE OF ALKALI METAL ALKOXIDE IN POLAR APROTIC SOLVENT APPLIED BIOSYSTEMS, LLC 2002-07-09 US disclosed
US-6124478-A Methods of using 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 2000-09-26 US disclosed
US-5856522-A Method of using synthesis of 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 1999-01-05 US disclosed
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
US-5679802-A 1,2-dioxetanes useful in chemiluminescent immunoassays TROPIX, INC. (US) 1997-10-21 US disclosed
US-5648555-A Alkenes APPLIED BIOSYSTEMS, LLC 1997-07-15 US disclosed
US-5639907-A Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1997-06-17 US disclosed
US-5637747-A Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1997-06-10 US disclosed
US-5625077-A 1,2-dioxetanes TROPIX, INC. (US) 1997-04-29 US disclosed
EP-0595369-A1 Alkene compounds TROPIX, INC. (US) 1994-05-04 EP disclosed
EP-0582317-A2 Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1994-02-09 EP disclosed
US-5177241-A SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR APPLIED BIOSYSTEMS, LLC 1993-01-05 US disclosed
US-4956477-A Synthesis of 1,2-dioxetanes TROPIX, INC. (US) 1990-09-11 US disclosed
EP-0368946-A1 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-23 EP disclosed
EP-0368946-A4 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-14 EP disclosed
US-4880780-A RESPIRATORY SYSTEM DISORDERS ICI AMERICAS INC. (US) 1989-11-14 US disclosed
US-4857652-A Chemiluminescent 1,2-dioxetane compounds BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1989-08-15 US disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 WO disclosed
EP-0254051-A2 Chemiluminescent 1,2-dioxetane compounds THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1988-01-27 EP disclosed