SCHEMBL4949804

SCHEMBL4949804

O=C(O)/C=C/C(=O)OC(=O)/C=C/C(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.60
TSHR P16473 4/20 0.60
TP53 P04637 1/20 0.60
EGLN1 Q9GZT9 1/20 0.60
EGLN3 Q9H6Z9 1/20 0.60
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRR1 P24046 2/20 0.35
GABRR2 P28476 2/20 0.35
BLM P54132 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
LMNA P02545 1/20 0.35

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
Fumaric Acid SCHEMBL27560148 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL1238140 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL499484 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL63810 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL1979606 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL5822456 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL8418674 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL2402992 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL20487518 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL27731205 1.00 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3813835-A1 SALTS OF (S)-(5-CYCLOBUTOXY-2-METHYL-6-(1-(PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)(CYCLOPROPYL)METHANONE AND SOLID FORMS THEREOF Forma Therapeutics, Inc. (US) 2021-05-05 EP disclosed
CN-107666905-A Methods and compositions for intravenous administration of fumarate for the treatment of neurological diseases 比奥根玛公司 2018-02-06 CN disclosed
CN-101641328-B Polymorphs of N-hydroxy-3- [4- [ [ [2- (2-methyl-1H-indol-3-yl) ethyl ] amino ] methyl ] phenyl ] -2E-2-propenamide NOVARTIS AG 2012-10-10 CN disclosed
CN-102584673-A Polymorphs of n-hydroxy-3-[4-[[[2-(2-methyl-1h-indol-3-yl)ethyl]amino]methyl]phenyl]-2e-2-propenamide NOVARTIS AG 2012-07-18 CN disclosed
CN-101466672-B Salts of N-hydroxy-3- [4- [ [ [2- (2-methyl-1H-indol-3-yl) ethyl ] amino ] methyl ] phenyl ] -2E-2-propenamide NOVARTIS AG 2012-05-16 CN disclosed
CN-101641328-A Polymorphs of N-hydroxy-3- [ 4- [ [ [ 2- (2-methyl-1H-indol-3-yl) ethyl ] amino ] methyl ] phenyl ] -2E-2-propenamide NOVARTIS AG CH 2010-02-03 CN disclosed
CN-101466672-A Salts of N-hydroxy-3- [ 4- [ [ [ 2- (2-methyl-1H-indol-3-yl) ethyl ] amino ] methyl ] phenyl ] -2E-2-propenamide NOVARTIS AG (CH) 2009-06-24 CN disclosed
CN-101466673-A Process for the preparation of salts of N-hydroxy-3- [ 4- [ [ [ 2- (2-methyl-1H-indol-3-yl) ethyl ] amino ] methyl ] phenyl ] -2E-2-propenamide NOVARTIS AG (CH) 2009-06-24 CN disclosed
WO-2008096369-A2 PHARMACEUTICAL FORMULATION FOR USE IN HIV THERAPY MATRIX LABORATORIES LIMITED (IN) 2008-08-14 WO disclosed
CN-101175748-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-1298391-A 1-[(1-substituted-4-piperidinyl) methyl]-4-piperidine derivatives, process for producing the same medicinal compositions containing the same and intermediate of these compounds DAINIPPON PHARMACEUTICAL CO (JP) 2001-06-06 CN disclosed
CN-1183765-A Phenoxyethylamine derivatives having high affinity for the 5-HT1A receptor, process for their preparation, their use as medicaments and pharmaceutical compositions containing them SOD CONSEILS RECH APPLIC (FR) 1998-06-03 CN disclosed
CN-1024017-C Middle distillate compositions with improved low temperature properties EXXON RESEARCH ENGINEERING CO (US) 1994-03-16 CN disclosed
CN-85104295-A Middle distillate composition with improved cold flow 1986-12-03 CN disclosed
CN-85104292-A Middle distillate compositions having improved low temperature 1986-12-03 CN disclosed
US-4107391-A ULTRAVIOLET CURING OF A SOLVENTLESS POLYESTER OR ACRYLIC RESIN COATING GENERAL ELECTRIC COMPANY (US) 1978-08-15 US disclosed