SCHEMBL7597192

SCHEMBL7597192

CC(=O)OC1(c2ccccc2)COO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
AKR1C1 Q04828 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TSHR P16473 2/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11632446 0.79 HTR1A (0.39) GAANPSR1OPRM1OPRL1ALDH1A1
SCHEMBL10880376 0.73 OPRM1 (0.37) GAANPSR1OPRM1OPRL1ALDH1A1
SCHEMBL5033288 0.71 GAA (0.41) GAANPSR1OPRM1OPRL1ALDH1A1
SCHEMBL8749499 0.71
SCHEMBL8990273 0.71 GAA (0.42) GAANPSR1OPRM1OPRL1ALDH1A1
SCHEMBL7428674 0.69 OPRM1 (0.44) GAAOPRM1ALDH1A1MEN1KMT2A
SCHEMBL23762899 0.68 AKR1C1 (0.48) GAANPSR1OPRM1OPRL1MEN1
SCHEMBL29222624 0.68 ALDH1A1 (0.47) GAANPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL4105893 0.67 AKR1C1 (0.47) GAANPSR1OPRM1OPRL1MEN1
SCHEMBL11812697 0.67 HSD17B10 (0.41) GAANPSR1OPRM1OPRL1ALDH1A1

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
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-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 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
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 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