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Fumaric Acid

Fumaric Acid

SCHEMBL7932100

CN(C)C1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.O=C(O)/C=C/C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

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 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 known ✓ P31645 13/20 1.00
▸ SLC6A2 known ✓ P23975 13/20 1.00
▸ SLC6A3 Q01959 13/20 1.00

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
SCHEMBL7932101 0.89 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL7932104 0.89 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3
Maleic Acid SCHEMBL7925129 0.81 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3
SCHEMBL11127495 0.77 SLC6A2 (0.77) SLC6A4SLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL7925131 0.77 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3
SCHEMBL10995616 0.77 SLC6A2 (0.76) SLC6A4SLC6A2SLC6A3
SCHEMBL11133286 0.77 SLC6A2 (0.76) SLC6A4SLC6A2SLC6A3
SCHEMBL11133547 0.77 SLC6A2 (0.76) SLC6A4SLC6A2SLC6A3
SCHEMBL9843400 0.77 SLC6A2 (0.76) SLC6A4SLC6A2SLC6A3
SCHEMBL6944959 0.77 SLC6A2 (0.76) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268535-B1 REACTING BENZENE SUBSTITUTED UNSATURATED CARBOXYLIC ACID IN PRESENCE OF FRIEDEL-CRAFT CATALYST WITH BENZENE COMPOUND TO FORM 3-ARYL-3-PHENYL-1-PROPANOIC ACID REACTING TO FORM 3-ARYL INDAN; REDUCING, REACTING WITH AMINE TO FORM 3-ARYLINDANAMINE PHARM-ECO LABORATORIES, INC. 2001-07-31 — — US disclosed