SCHEMBL7599431

SCHEMBL7599431

COC(=C1C2CC3CC(C2)CC1C3)c1cccc(OC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
FAAH O00519 1/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40
ELANE P08246 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9430678 0.86 ELANE (0.43) EPHX2MEN1KMT2AFAAHCNR2
SCHEMBL7602742 0.86 EPHX2 (0.41) EPHX2NPC1RAB9AALDH1A1TP53
SCHEMBL31236475 0.85 MEN1 (0.51) EPHX2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8854660 0.85 EPHX2 (0.46) EPHX2NPC1RAB9AHTTALDH1A1
SCHEMBL7598259 0.85 MEN1 (0.51) EPHX2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8749311 0.84 EPHX2 (0.39) EPHX2NPC1RAB9AALDH1A1TP53
SCHEMBL8853448 0.83 EPHX2 (0.41) EPHX2NPC1RAB9AHTTALDH1A1
SCHEMBL8853644 0.83 EPHX2 (0.41) EPHX2NPC1RAB9AHTTALDH1A1
SCHEMBL1041440 0.82 KMT2A (0.41) EPHX2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9179949 0.81 KMT2A (0.43) EPHX2NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6133459-A HAVING ENZYME REACTIVE GROUP WHICH IS REMOVED BY THE ENZYME TO PROVIDE AN INTERMEDIATE DIOXETANE OXIDE ION WHICH DECOMPOSES SO THAT LIGHT IS GENERATED TROPIX, INC. (US) 2000-10-17 US disclosed
US-6124478-A Methods of using 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 2000-09-26 US disclosed
US-6107024-A USING 1,2-DIOXETANE DERIVATIVE SUBSTRATE IN ENZYME-LINKED ASSAY WHERE ENZYME IS LINKED TO ANTIGEN, ANTIBODY, HAPTEN OR NUCLEIC ACID; FORMS ARYLOXIDE INTERMEDIATE WHEN TRIGGERED, THEN RELEASES ENERGY TO FORM LIGHT AND TWO CARBONYL COMPOUNDS TROPIX, INC. (US) 2000-08-22 US disclosed
US-5891626-A ENZYME-LINKED ANALYSIS; USING SURFACTANT TROPIX, INC. (US) 1999-04-06 US disclosed
US-5856522-A Method of using synthesis of 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 1999-01-05 US disclosed
EP-0352713-B2 Method and compositions providing enhanced chemiluminescence from 1,2-dioxetanes TROPIX INC (US) 1998-07-08 EP disclosed
US-5777133-A Synthesis of 1, 2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1998-07-07 US disclosed
US-5698728-A CONTAIN ADAMANTYL MOIETY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1997-12-16 US disclosed
US-5679802-A 1,2-dioxetanes useful in chemiluminescent immunoassays TROPIX, INC. (US) 1997-10-21 US disclosed
EP-0510721-A2 Method and compositions providing enhanced chemiluminescence from 1,2-dioxetanes TROPIX, INC. (US) 1992-10-28 EP disclosed
US-5068339-A Labels for biomolecules BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1991-11-26 US disclosed
US-5013827-A Useful In Immunoassays BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1991-05-07 US disclosed
US-4959182-A Method and compositions providing enhanced chemiluminescence from 1,2-dioxetanes BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1990-09-25 US disclosed
US-4956477-A Synthesis of 1,2-dioxetanes TROPIX, INC. (US) 1990-09-11 US disclosed
EP-0379716-A1 Chemiluminescent 1,2-dioxetane compounds TROPIX, INC. (US) 1990-08-01 EP 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
EP-0352713-A1 Method and compositions providing enhanced chemiluminescence from 1,2-dioxetanes TROPIX, INC. (US) 1990-01-31 EP disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 WO disclosed