SCHEMBL4576244

SCHEMBL4576244

C=Cc1cccc(C2OCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
DRD3 P35462 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL6517741 0.83 MEN1 (0.34) ALDH1A1TSHRMEN1KMT2ACYP2C19
SCHEMBL2281435 0.81 ALDH1A1 (0.42) TDP1ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4140760 0.79 TP53 (0.44) TP53TDP1ALDH1A1TSHR
SCHEMBL1499389 0.79 TSHR (0.48) TP53TDP1ALDH1A1TSHRDRD3
SCHEMBL28756738 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP2C19SMN1; SMN2
SCHEMBL4575908 0.76 ALDH1A1 (0.48) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL6196036 0.75 DRD2 (0.42) TDP1ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL29995306 0.75 DRD2 (0.42) TDP1ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL2281217 0.75 ENPP2 (0.46)
SCHEMBL2453903 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763978-B2 Pharmaceutical compositions comprising polymeric binders with non-hydrolysable covalent bonds and their use in treating celiac disease VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2017-09-19 US disclosed
US-20150064131-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYMERIC BINDERS WITH NON-HYDROLYSABLE COVALENT BONDS AND THEIR USE IN TREATING CELIAC DISEASE VALORISATION-RECHERCHE LIMITED PARTNERSHIP (CA) 2015-03-05 US disclosed
US-8883133-B2 Pharmaceutical compositions comprising polymeric binders with non-hydrolysable their use in treating celiac disease VALORISATION-RECHERCHE LIMITED PARTNERSHIP (CA) 2014-11-11 US disclosed
US-8784792-B2 Pharmaceutical compositions comprising polymeric binders with non-hydrolysable covalent bonds and their use in treating celiac disease Valorization-Recherche Limited Partnership (CA) 2014-07-22 US disclosed
US-8304171-B2 Plate making method of lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-11-06 US disclosed
US-20120244105-A1 Pharmaceutical Compositions Comprising Polymeric Binders with Non-Hydrolysable Covalent Bonds and Their Use in Treating Celiac Disease VALORISATION-RECHERCHE LIMITED PARTNERSHIP (CA) 2012-09-27 US disclosed
US-20100075260-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100075260-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20080254099-A1 Such as high molecular weight copolymer of hydroxyethyl methacrylate and 4-styrene sulfonic acid sodium salt; decreasing interaction of gluten or peptide degradation products with intestinal tract; breads VALORISATION-RECHERCHE, LIMITED (CA) 2008-10-16 US disclosed
EP-1948201-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYMERIC BINDERS WITH NON-HYDROLYSABLE COVALENT BONDS AND THEIR USE IN TREATING CELIAC DISEASE UNIVERSITE DE MONTREAL (CA) 2008-07-30 EP disclosed
WO-2007053935-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYMERIC BINDERS WITH NON-HYDROLYSABLE COVALENT BONDS AND THEIR USE IN TREATING CELIAC DISEASE UNIVERSITE DE MONTREAL (CA) 2007-05-18 WO disclosed
US-5428171-A Leukotrienes antagonist; antiasthmatic, antiallergic, anti-inflammatory and cytoprotective agent MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-4851409-A LEUKOTRIENE ANTAGONIST, ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY, CYTOPROTECTIVE MERCK FROSST CANADA INC. (CA) 1989-07-25 US disclosed
EP-0233763-A2 2-Substituted quinoline dioic acids MERCK FROSST CANADA INC. (CA) 1987-08-26 EP disclosed