SCHEMBL346889

SCHEMBL346889

O=C(O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.51
PPARG P37231 10/20 0.51
ACE P12821 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FOLH1 Q04609 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45

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
SCHEMBL28447871 0.83 MME (0.52) MMEPPARGACEL3MBTL1FOLH1
SCHEMBL30200282 0.83 MME (0.52) MMEPPARGACEL3MBTL1FOLH1
SCHEMBL3272394 0.81 L3MBTL1 (0.55) MMEPPARGL3MBTL1
SCHEMBL7420136 0.81 ALDH1A1 (0.53) MMEPPARGACENAALAD2
SCHEMBL7422544 0.81 ALDH1A1 (0.53) MMEPPARGACENAALAD2
SCHEMBL27697067 0.81 PPARG (0.56) MMEPPARGACEL3MBTL1
SCHEMBL8299830 0.81 PPARG (0.51) MMEPPARGACEFOLH1NAALAD2
SCHEMBL5566405 0.81 MME (0.50) MMEPPARGACEFOLH1NAALAD2
SCHEMBL7422437 0.80 PPARG (0.48) MMEPPARGACENAALAD2
SCHEMBL5819563 0.80 L3MBTL1 (0.54) MMEL3MBTL1FOLH1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750749-B2 Methods of treating thyroid eye disease UNIVERSITY OF ROCHESTER (US) 2017-09-05 US disclosed
US-20160199386-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2016-07-14 US disclosed
US-9320723-B2 Methods of treating thyroid eye disease UNIVERSITY OF ROCHESTER (US) 2016-04-26 US disclosed
US-20160000777-A1 METHODS OF USING HISTAMINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF ROCHESTER (US) 2016-01-07 US disclosed
WO-2014130759-A1 METHODS OF USING HISTAMINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF ROCHESTER (US) 2014-08-28 WO disclosed
US-20130045267-A1 METHODS OF USING AGENTS THAT MODULATE CLAUDIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2013-02-21 US disclosed
US-20130046257-A1 METHODS OF USING AGENTS THAT MODULATE CLAUDIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2013-02-21 US disclosed
US-20120015001-A1 METHODS OF TREATING THYROID EYE DISEASE UNIVERSITY OF ROCHESTER (US) 2012-01-19 US disclosed
WO-2011097595-A1 METHODS OF USING AGENTS THAT MODULATE CLAUDIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2011-08-11 WO disclosed
WO-2011097596-A2 METHODS OF USING AGENTS THAT MODULATE CLAUDIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2011-08-11 WO disclosed
US-20070135382-A1 Use of peroxisome proliferator-activated receptor gamma (ppary) and/or retinoic acid receptor (rxr) agonists to inhibit platelet functions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-06-14 US disclosed
EP-1675588-A2 USE OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA (PPAR GAMMA) AND/OR RETINOIC ACID RECEPTOR (RXR) AGONISTS TO INHIBIT PLATELET FUNCTIONS University of Rochester (US) 2006-07-05 EP disclosed
WO-2005041872-A2 USE OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA (PPARϜ) AND/OR RETINOIC ACID RECEPTOR (RXR) AGONISTS TO INHIBIT PLATELET FUNCTIONS UNIVERSITY OF ROCHESTER (US) 2005-05-12 WO disclosed