SCHEMBL7598473

SCHEMBL7598473

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KDM2B Q8NHM5 4/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAU P00749 1/20 0.41
HPGDS O60760 1/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
CNR2 P34972 1/20 0.39
CYP2A6 P11509 1/20 0.39
ESR1 P03372 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL8749295 0.97 KDM4E (0.44) KDM4EKDM2BALDH1A1NPC1PKM
SCHEMBL8860947 0.87 SLC6A3 (0.41) NPC1RAB9APLAUESR1SLC6A4
SCHEMBL9043472 0.87 SLC6A3 (0.41) NPC1RAB9APLAUESR1SLC6A4
SCHEMBL14514173 0.86 CNR2 (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL7598808 0.86 ESR1 (0.43) NPC1RAB9AESR1SLC6A2SLC6A4
SCHEMBL7602742 0.85 EPHX2 (0.41) KDM4EKDM2BALDH1A1NPC1PKM
SCHEMBL7598259 0.84 MEN1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL31236475 0.84 MEN1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL8749311 0.83 EPHX2 (0.39) KDM4EKDM2BALDH1A1NPC1PKM
SCHEMBL8677145 0.82 CA12 (0.41) KDM4EKDM2BALDH1A1NPC1PKM

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 16 patents. 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-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-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
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 WO disclosed