Fumaric Acid

Fumaric Acid

SCHEMBL7563318

C=COC(=O)c1ccccc1C(C)(C)C.O=C(O)C=CC(=O)O

nearest known ligand 0.40

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 7/20 0.37
CYP3A4 P08684 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
TNFRSF1A P19438 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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 SCHEMBL7563314 1.00 SMN1; SMN2 (0.40) SMN1; SMN2HTTTDP1ATMALDH1A1
SCHEMBL246897 0.92 TDP1 (0.40) TDP1ATMALDH1A1CYP3A4MAPT
Acetic Acid SCHEMBL8519656 0.91 TDP1 (0.40) TDP1ATMALDH1A1CYP3A4TNFRSF1A
Crotonic Acid SCHEMBL8640256 0.88 TDP1 (0.33) SMN1; SMN2HTTTDP1ATMALDH1A1
Vinyl Ether SCHEMBL23088820 0.88 TDP1 (0.37) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL7943458 0.79 GLRA3 (0.37) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL7943455 0.79 CYP3A4 (0.37) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL1899482 0.79 CYP3A4 (0.37) TDP1ATMALDH1A1CYP3A4MAPT
Acetic Acid SCHEMBL12469814 0.79 NR1H4 (0.31)
SCHEMBL27473151 0.78 KDM4E (0.42) SMN1; SMN2TDP1ATMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020190818-A1 High frequency band pass filter TDK CORPORATION (JP) 2002-12-19 US disclosed
EP-0788118-B1 Low dielectric polymer and film, substrate and electronic part using the same TDK CORP (JP) 2002-11-20 EP disclosed
US-5914283-A FUMARIC ACID DIESTER MONOMER-CONTAINING POLYMER FILM; HEAT RESISTANCE, WEATHER RESISTANCE TDK CORPORATION (JP) 1999-06-22 US disclosed
EP-0788118-A1 Low dielectric polymer and film, substrate and electronic part using the same TDK Corporation (JP) 1997-08-06 EP disclosed