SCHEMBL847205

SCHEMBL847205

C=CC(c1ccccc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
LMNA P02545 3/20 0.40
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
MAPK1 P28482 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKT1 P31749 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34

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
SCHEMBL10985492 0.93 CYP2C19 (0.41) CYP2C19LMNAGABBR2GABBR1CYP2D6
SCHEMBL10984143 0.89 CYP2C19 (0.38) CYP2C19LMNAGABBR2GABBR1CYP2D6
SCHEMBL17075275 0.86 LMNA (0.37) CYP2C19LMNA
SCHEMBL10985511 0.82 CYP2C19 (0.38) CYP2C19LMNAGABBR2GABBR1CYP2D6
SCHEMBL644556 0.79 CYP2D6 (0.43) CYP2C19LMNAGABBR2GABBR1CYP2D6
SCHEMBL10984385 0.78 CYP2C19 (0.37) CYP2C19LMNAGABBR2GABBR1CYP2D6
SCHEMBL10988735 0.78 CYP2C19 (0.37) CYP2C19LMNAGABBR2GABBR1CYP2D6
SCHEMBL10979178 0.78 HDAC1 (0.40) CYP2C19MAPK1
SCHEMBL10820763 0.77 CYP2D6 (0.41) CYP2C19LMNAGABBR2GABBR1CYP2D6
SCHEMBL10980934 0.76 CYP2C19 (0.37) CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432588-B1 POROUS POLYMERIC SEPARATION MATERIAL BIOTAGE AB (SE) 2017-01-18 EP claimed
US-20120128842-A1 POROUS POLYMERIC SEPARATION MATERIAL BIOTAGE AB (SE) 2012-05-24 US claimed
EP-2432588-A1 POROUS POLYMERIC SEPARATION MATERIAL Biotage AB (SE) 2012-03-28 EP claimed
WO-2010134877-A1 POROUS POLYMERIC SEPARATION MATERIAL MIP TECHNOLOGIES AB (SE) 2010-11-25 WO claimed
EP-0873106-A1 USE OF METALLOFLUOROCOMPLEXES FOR DENTAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-28 EP claimed
WO-1997018791-A1 USE OF METALLOFLUOROCOMPLEXES FOR DENTAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-29 WO claimed
US-4133929-A Ionically modified cellulose materials for removal of heavy metal ions CIBA-GEIGY CORPORATION (US) 1979-01-09 US claimed
EP-2783748-B1 USE OF A SORBENT FOR EXTRACTING MYCOTOXINS BIOTAGE AB (SE) 2019-05-08 EP disclosed
US-10112177-B2 Material for and method of extracting mycotoxins BIOTAGE AB (SE) 2018-10-30 US disclosed
US-10040033-B2 Multilayer separation membrane TORAY INDUSTRIES, INC. (JP) 2018-08-07 US disclosed
US-10023714-B2 Porous polymeric separation material BIOTAGE AB (SE) 2018-07-17 US disclosed
EP-2432588-B1 POROUS POLYMERIC SEPARATION MATERIAL BIOTAGE AB (SE) 2017-01-18 EP disclosed
US-20170009041-A1 POROUS POLYMERIC SEPARATION MATERIAL BIOTAGE AB 2017-01-12 US disclosed
EP-2432588-A1 POROUS POLYMERIC SEPARATION MATERIAL Biotage AB (SE) 2012-03-28 EP disclosed
WO-2010134877-A1 POROUS POLYMERIC SEPARATION MATERIAL MIP TECHNOLOGIES AB (SE) 2010-11-25 WO disclosed
US-5415908-A Polymer supports comprising highly reactive grafted polyolefin inescapably enclosed within a mesh fabric bag OY SMOPTECH AB (FI) 1995-05-16 US disclosed
EP-0629441-A1 Polymer supports and method for the preparation thereof NASMAN, Jan-Anders, Harry (FI) 1994-12-21 EP disclosed
US-5010184-A Chromatography separation of mixture CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
US-4577013-A MICROCRYSTALLINE WOOD CELLULOSE, N-METHYLOLAMIDE COMPOUND, REVERSIBLE ABSORBER, CHROMATOGRAPHY CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4133929-A Ionically modified cellulose materials for removal of heavy metal ions CIBA-GEIGY CORPORATION (US) 1979-01-09 US disclosed