SCHEMBL7598326

SCHEMBL7598326

COc1cccc(C(=O)C2C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
FAAH O00519 1/20 0.54
CNR2 P34972 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PARP1 P09874 1/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM2B Q8NHM5 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL10337281 0.99 MEN1 (0.53) MEN1KMT2AFAAHCNR2CES2
SCHEMBL11782960 0.81 ALDH1A1 (0.55) KMT2ACNR2CES2CES1PARP1
SCHEMBL7524998 0.78 FAAH (0.50) KMT2AFAAHPARP1ALDH1A1
SCHEMBL31636008 0.78 CES2 (0.65) MEN1KMT2ACES2CES1PARP1
SCHEMBL7309424 0.78 CES2 (0.65) MEN1KMT2ACES2CES1PARP1
SCHEMBL30009669 0.76 CES2 (0.57) MEN1KMT2AFAAHCNR2CES2
SCHEMBL5313659 0.76 KMT2A (0.49) KMT2AFAAHCNR2
SCHEMBL18360283 0.75 KDM2B (0.62) MEN1KMT2ACES2CES1PARP1
SCHEMBL7598259 0.73 MEN1 (0.51) MEN1KMT2AFAAHCNR2CES2
SCHEMBL2992325 0.73 CES2 (0.54) MEN1KMT2AFAAHCNR2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000724-A None JP 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
EP-0582317-B1 Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX INC (US) 1999-08-25 EP 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-5625077-A 1,2-dioxetanes TROPIX, INC. (US) 1997-04-29 US disclosed
EP-0368946-B1 1,2-DIOXETANES TROPIX INC (US) 1994-09-14 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
JP-H02724-A MEASURING METHOD USING CHEMILUMINESCENT 1,2-DIOXETANES TROPIX INC 1990-01-05 JP disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 WO disclosed