Fumaric Acid

Fumaric Acid

SCHEMBL7565352

CCC(C)OC(=O)/C=C/C(=O)OC(C)CC.O=C(O)/C=C/C(=O)O

nearest known ligand 0.63

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Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.63
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 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
SCHEMBL1832224 1.00 HCAR2 (0.63) HCAR2TSHRALDH1A1GAATP53
SCHEMBL451816 1.00 HCAR2 (0.63) HCAR2TSHRALDH1A1GAATP53
Fumaric Acid SCHEMBL7565361 1.00 HCAR2 (0.63) HCAR2TSHRALDH1A1GAATP53
SCHEMBL1579344 1.00 HCAR2 (0.63) HCAR2TSHRALDH1A1GAATP53
Propane SCHEMBL8092488 0.98 HCAR2 (0.61) HCAR2TSHRALDH1A1GAATP53
SCHEMBL11838586 0.94 HCAR2 (0.57) HCAR2TSHRALDH1A1GAATP53
SCHEMBL510760 0.91 HCAR2 (0.48) HCAR2TSHRMAPTATM
SCHEMBL510759 0.91 HCAR2 (0.48) HCAR2TSHRMAPTATM
SCHEMBL1062134 0.91 HCAR2 (0.48) HCAR2TSHRMAPTATM
SCHEMBL21767949 0.91 HCAR2 (0.53) HCAR2TSHRALDH1A1GAATP53

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