Sugi Predict

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SCHEMBL7606080

SCHEMBL7606080

COC(=C1C2CC3CC(C2)CC1C3)c1cccc(OP2(=O)OCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ FAAH O00519 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EPHX2 P34913 3/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL7603675 0.86 ESR1 (0.33) ALDH1A1ESR1NPC1RAB9A
SCHEMBL31236475 0.80 MEN1 (0.51) KMT2AFAAHCNR2MEN1EPHX2
SCHEMBL7598259 0.80 MEN1 (0.51) KMT2AFAAHCNR2MEN1EPHX2
SCHEMBL1041440 0.77 KMT2A (0.41) KMT2AFAAHCNR2MEN1HPGD
SCHEMBL7599431 0.77 EPHX2 (0.48) KMT2AFAAHCNR2MEN1EPHX2
SCHEMBL9179949 0.76 KMT2A (0.43) KMT2AFAAHCNR2MEN1HPGD
SCHEMBL15144447 0.75 KMT2A (0.42) KMT2AFAAHCNR2MEN1HPGD
SCHEMBL9616774 0.75 KMT2A (0.42) KMT2AFAAHCNR2MEN1HPGD
SCHEMBL15435483 0.75 EPHX2 (0.34) KMT2AFAAHCNR2MEN1HPGD
SCHEMBL9430678 0.74 ELANE (0.43) KMT2AFAAHCNR2MEN1EPHX2

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
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-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