SCHEMBL8475725

SCHEMBL8475725

NCCOC(=C1C2CC3CC(C2)CC1C3)c1cccc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 8/20 0.34
PARP1 P09874 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ENPP2 Q13822 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8475917 0.87 FAAH (0.36) FAAHKDM4EALDH1A1ESR1PARP1
SCHEMBL8474227 0.87 FAAH (0.36) FAAHKDM4EALDH1A1ESR1PARP1
SCHEMBL8479178 0.85 ESR1 (0.39) FAAHESR1
SCHEMBL9050416 0.84 FAAH (0.38) FAAHKDM4EALDH1A1ESR1PARP1
SCHEMBL4391493 0.83 OPRM1 (0.42) FAAHESR1DRD2
SCHEMBL8478038 0.82 ESR1 (0.41) FAAHKDM4EALDH1A1ESR1PARP1
SCHEMBL8473857 0.82 ESR1 (0.35) FAAHESR1RAB9A
SCHEMBL8058782 0.79 FAAH (0.43) FAAHKDM4EALDH1A1ESR1PARP1
SCHEMBL734321 0.79 FAAH (0.43) FAAHKDM4EALDH1A1ESR1PARP1
SCHEMBL9245436 0.76 SLC5A2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698728-A CONTAIN ADAMANTYL MOIETY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1997-12-16 US claimed
EP-0379716-B1 Chemiluminescent 1,2-dioxetane compounds TROPIX INC (US) 1996-03-13 EP claimed
EP-0379716-A1 Chemiluminescent 1,2-dioxetane compounds TROPIX, INC. (US) 1990-08-01 EP claimed
US-5869698-A 1,2-dioxetane compounds as chemiluminescent labels for organic and biological molecules BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1999-02-09 US disclosed
US-5795987-A LUMINESCENCE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1998-08-18 US disclosed
US-5770743-A IMMUNOASSAY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1998-06-23 US disclosed
US-5698728-A CONTAIN ADAMANTYL MOIETY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1997-12-16 US disclosed
US-5652345-A THERMALLY STABLE DIOXETANE TRIGGERED BY GALACTOSIDASE TO GENERATE CHEMILUMINESCENCE IN AQUEOUS SOLUTION TROPIX, INC. (US) 1997-07-29 US disclosed
US-5631353-A FLUID CAPSULES IN CONDUITS WITH SEGMENTS CONTAINING DIOXETANE REAGENTS AS ACTIVATORS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1997-05-20 US disclosed
US-5616729-A FLUORESCENCE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1997-04-01 US disclosed
EP-0379716-B1 Chemiluminescent 1,2-dioxetane compounds TROPIX INC (US) 1996-03-13 EP disclosed
US-5438146-A Enhanced chemiluminescence from 1,2-dioxetanes through energy transfer to tethered fluorescers BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1995-08-01 US 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
EP-0379716-A1 Chemiluminescent 1,2-dioxetane compounds TROPIX, INC. (US) 1990-08-01 EP disclosed