SCHEMBL874158

SCHEMBL874158

COc1ccc(O)c(CC=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.56
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3625530 0.86 POLB (0.57) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL335296 0.82 GABRA1 (0.59) ERN1GAAALDH1A1MEN1MAPT
SCHEMBL805304 0.81 MTNR1A (0.55) ERN1TRIM24TYRTRIM33MTNR1A
SCHEMBL24804415 0.81 HTT (0.57) ERN1MTNR1AMTNR1BGAAALDH1A1
SCHEMBL5748867 0.80 LTA4H (0.44) ERN1CA1CA2GAAALDH1A1
SCHEMBL885029 0.80 HSD17B10 (0.57) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL30229484 0.80 HSD17B10 (0.57) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL620874 0.79 GAA (0.55) ERN1MTNR1AMTNR1BCA1CA2
SCHEMBL51653 0.79 GAA (0.53) ERN1MTNR1AMTNR1BCA1CA2
SCHEMBL3928795 0.79 ALDH1A1 (0.41) ERN1TRIM24TYRTRIM33ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687506-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2020-08-05 EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
EP-3355889-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals Inc. (US) 2018-08-08 EP disclosed
EP-3164132-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS Afferent Pharmaceuticals Inc. (US) 2017-05-10 EP disclosed
EP-3035932-A1 DIAMINOPYRIMIDINE P2X3 AND P2X 2/3 RECEPTOR MODULATORS FOR TREATMENT OF ACUTE, SUB-ACUTE OR CHRONIC COUGH Afferent Pharmaceuticals Inc. (US) 2016-06-29 EP disclosed
WO-2016004358-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS Afferent Pharmaceuticals, Inc. (US) 2016-01-07 WO disclosed
WO-2015027212-A1 DIAMINOPYRIMIDINE P2X3 AND P2X 2/3 RECEPTOR MODULATORS FOR TREATMENT OF ACUTE, SUB-ACUTE OR CHRONIC COUGH AFFERENT PHARMACEUTICALS INC. (US) 2015-02-26 WO disclosed
EP-2791132-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2014-10-22 EP disclosed
WO-2013090829-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
WO-2007025899-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025901-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025898-A1 PROCESS FOR SYNTHESIS OF ARYLOXY DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
EP-1725540-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005095359-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 WO disclosed
US-5268386-A Containing a carboxy group SHIONOGI & CO., LTD. (JP) 1993-12-07 US disclosed
EP-0415566-A1 Heterocyclic compounds, processes for producing them and pharmaceutical compositions comprising them SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-03-06 EP disclosed
US-4200465-A Antistatic light-sensitive silver halide photographic element KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-04-29 US disclosed