Fumaric Acid

Fumaric Acid

SCHEMBL27348397

CC1CNCCO1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.39

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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 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 4/20 0.39
SLC6A4 known ✓ P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
SSTR4 P31391 1/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 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
Acetic Acid SCHEMBL5163639 0.86 SSTR4 (0.36) SLC6A2SLC6A4SLC6A3SSTR4TSHR
Formic Acid SCHEMBL25180656 0.82 SSTR4 (0.33) SSTR4
SCHEMBL2303916 0.82
SCHEMBL16695 0.82
SCHEMBL1771223 0.82
SCHEMBL6023366 0.82
Propionic Acid SCHEMBL3286568 0.81 FFAR3 (0.37) SLC6A2SLC6A4SLC6A3SSTR4
SCHEMBL16569981 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3SSTR4
Trifluoroacetic Acid SCHEMBL2268475 0.80 SSTR4 (0.36) SLC6A2SLC6A3SSTR4
Lactic Acid SCHEMBL25180586 0.80 TP53 (0.39) SLC6A2SLC6A4SSTR4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1042028-C Morpholine derivative YAMANOUCHI PHARMA CO LTD (JP) 1999-02-10 CN claimed
CN-1117729-A morpholine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-02-28 CN claimed