SCHEMBL3821539

SCHEMBL3821539

CC(C)(C)OC(=O)N[C@H](COC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.63
PPARG P37231 8/20 0.63
PPARD Q03181 2/20 0.57
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
ACE P12821 1/20 0.52
IDO1 P14902 1/20 0.52
ALDH1A1 P00352 1/20 0.49
CTSS P25774 4/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ATM Q13315 1/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL18335299 1.00 PPARA (0.63) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL28126437 0.87 PPARA (0.61) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL28126434 0.87 PPARA (0.61) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL29548389 0.87 PPARA (0.61) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL7283699 0.87 PPARA (0.55) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL16648476 0.86 ADRB2 (0.56) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL7352216 0.86 ADRB2 (0.56) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL7381690 0.86 ADRB2 (0.56) PPARAPPARGPPARDADRB2ADRB1
SCHEMBL5970314 0.84 TDP1 (0.52) PPARAPPARGPPARDACEIDO1
SCHEMBL28905329 0.83 PPARA (0.59) PPARAPPARGPPARDACEIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3161858-A1 COLLOIDAL SILICA CHEMICAL-MECHANICAL POLISHING CONCENTRATE Cabot Microelectronics Corporation (US) 2017-05-03 EP claimed
WO-2022132417-A1 LAMINATED STRUCTURES WITH ADHESIVE POLYMERIC INTERLAYER COMPRISING COHESIVE DEBONDING ZONES FOR ENHANCED PERFORMANCE KURARAY EUROPE GMBH (DE) 2022-06-23 WO disclosed
EP-2576472-A2 ANTIMICROBIAL COATINGS 3M Innovative Properties Company (US) 2013-04-10 EP disclosed
EP-2461960-A1 MANUFACTURE AND USE OF A REINFORCED PROFILE SOLVAY SA (BE) 2012-06-13 EP disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
EP-2094758-A1 CURABLE EPOXY RESIN COMPOSITION, CURED BODY THEREOF, AND USE THEREOF Dow Corning Toray Co., Ltd. (JP) 2009-09-02 EP disclosed
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
WO-2008069333-A1 CURABLE EPOXY RESIN COMPOSITION, CURED BODY THEREOF, AND USE THEREOF DOW CORNING TORAY CO., LTD. (JP) 2008-06-12 WO disclosed