SCHEMBL2944736

SCHEMBL2944736

CC(Cc1ccccc1)(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
KMT2A Q03164 4/20 0.43

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
SCHEMBL27939140 0.85 PBRM1 (0.45) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL28450714 0.83 GPR84 (0.43) SLC6A2FNTAFNTBGABRA1GABRB2
SCHEMBL7394209 0.83 SLC6A2 (0.42) SLC6A2FNTAFNTBGABRPGABRD
SCHEMBL7609416 0.82 SLC6A2 (0.41) SLC6A2FNTAFNTBGABRPGABRD
SCHEMBL8001498 0.81 SLC6A2 (0.45) SLC6A2FNTAFNTBGABRPGABRD
SCHEMBL28686176 0.80 MEN1 (0.49) SLC6A2FNTAFNTBGABRPGABRD
SCHEMBL3312775 0.80 SLC6A2 (0.47) SLC6A2FNTAFNTBGABRPGABRD
SCHEMBL17866728 0.79 PBRM1 (0.50) KMT2AMEN1PBRM1MAPTKDM4E
SCHEMBL7508029 0.78 MEN1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6288556 0.77 PBRM1 (0.49) KMT2AMEN1PBRM1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2016164593-A1 COMPOSITIONS AND METHODS FOR MODULATING HYDROXYLATION OF ACC2 BY PHD3 PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-10-13 WO disclosed
EP-2147315-A2 DIABETES-RELATED BIOMARKERS AND METHODS OF USE THEREOF Tethys Bioscience, Inc. (US) 2010-01-27 EP disclosed
EP-2001496-A4 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES BRIGHAM & WOMENS HOSPITAL (US) 2009-07-08 EP disclosed
EP-2001496-A2 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES The Brigham & Women's Hospital, Inc. (US) 2008-12-17 EP disclosed
WO-2008131224-A2 DIABETES-RELATED BIOMARKERS AND METHODS OF USE THEREOF TETHYS BIOSCIENCE, INC. (US) 2008-10-30 WO disclosed
WO-2008048607-A2 COLLAGEN PEPTIDES AS IMMUNE MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-24 WO disclosed
WO-2007136674-A9 DETECTION AND MONITORING OF LIVER DAMAGE CLEVELAND CLINIC FOUNDATION (US) 2008-02-21 WO disclosed
WO-2007136674-A1 DETECTION AND MONITORING OF LIVER DAMAGE THE CLEVELAND CLINIC FOUNDATION (US) 2007-11-29 WO disclosed
WO-2007109056-A2 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-09-27 WO disclosed
WO-2005055810-A2 RISK MARKERS FOR CARDIOVASCULAR DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2005-06-23 WO disclosed
EP-1191929-A4 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS UNIV TEMPLE (US) 2005-02-16 EP disclosed
EP-1451577-A2 SOLUBLE CD40L(CD154) AS A PROGNOSTIC MARKER OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2004-09-01 EP disclosed
WO-2003040691-A2 SOLUBLE CD40L(CD154) AS A PROGNOSTIC MARKER OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-05-15 WO disclosed
EP-1191931-A4 1-(4-SULFAMYLARYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 UNIV TEMPLE (US) 2002-11-27 EP disclosed
EP-1191931-A1 1-(4-SULFAMYLARYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 Temple University of the Commonwealth System of Higher Education (US) 2002-04-03 EP disclosed
EP-1191929-A2 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS Temple University of the Commonwealth System of Higher Education (US) 2002-04-03 EP disclosed
WO-2000077169-A2 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-12-21 WO disclosed
WO-2000076503-A1 1-(4-SULFAMYLARYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-12-21 WO disclosed
WO-2000076983-A1 1-(4-ARYLSULFONYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-12-21 WO disclosed