SCHEMBL7602742

SCHEMBL7602742

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
ESR1 P03372 2/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
ELANE P08246 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL8749311 0.98 EPHX2 (0.39) EPHX2ESR1CA12CA9ELANE
SCHEMBL8854660 0.90 EPHX2 (0.46) EPHX2ESR1ELANEALDH1A1NPC1
SCHEMBL7599431 0.86 EPHX2 (0.48) EPHX2ELANEALDH1A1NPC1PKM
SCHEMBL7598473 0.85 KDM4E (0.46) ESR1KDM4EALDH1A1NPC1PKM
SCHEMBL8749295 0.83 KDM4E (0.44) ESR1KDM4EALDH1A1NPC1PKM
SCHEMBL14108047 0.81 CA12 (0.39) EPHX2ESR1CA12CA9ELANE
SCHEMBL9043472 0.81 SLC6A3 (0.41) ESR1NPC1RAB9ASLC6A3
SCHEMBL8860947 0.81 SLC6A3 (0.41) ESR1NPC1RAB9ASLC6A3
SCHEMBL7598808 0.80 ESR1 (0.43) ESR1NPC1RAB9AMEN1KMT2A
SCHEMBL8749366 0.79 ESR1 (0.35) ESR1KDM4EALDH1A1NPC1PKM

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 25 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-7416898-B2 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P 2008-08-26 US disclosed
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-5777133-A Synthesis of 1, 2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1998-07-07 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-5177241-A SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR APPLIED BIOSYSTEMS, LLC 1993-01-05 US disclosed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP disclosed
WO-1991005063-A1 HALOPEROXIDASE ACID OPTIMUM CHEMILUMINESCENCE ASSAY SYSTEM EXOXEMIS, INC. (US) 1991-04-18 WO disclosed
EP-0421788-A2 Haloperoxidase-acid-optimum chemiluminescence assay system EXOXEMIS, INC. (US) 1991-04-10 EP disclosed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP 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
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 WO disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 WO disclosed