Fumaric Acid

Fumaric Acid

SCHEMBL6989735

CC(C)(CNc1ccc(S(=O)(=O)NC2CCCC2)cn1)NCC(=O)N1CCC[C@H]1C#N.O=C(O)/C=C/C(=O)O

nearest known ligand 0.67

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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 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.67
DPP7 Q9UHL4 3/20 0.49
DPP8 Q6V1X1 1/20 0.49

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 SCHEMBL6702979 0.92 DPP4 (0.67) DPP4DPP7DPP8
Fumaric Acid SCHEMBL6993635 0.91 DPP4 (0.66) DPP4DPP7DPP8
Fumaric Acid SCHEMBL6703214 0.90 DPP4 (0.69) DPP4DPP7DPP8
Fumaric Acid SCHEMBL6990735 0.90 DPP4 (0.64) DPP4DPP7DPP8
Fumaric Acid SCHEMBL6700363 0.89 DPP4 (0.68) DPP4DPP7DPP8
Fumaric Acid SCHEMBL6697189 0.89 DPP4 (0.64) DPP4DPP7DPP8
Fumaric Acid SCHEMBL6702925 0.88 DPP4 (0.63) DPP4DPP7DPP8
Fumaric Acid SCHEMBL6703590 0.85 DPP4 (0.73) DPP4DPP7DPP8
SCHEMBL6702197 0.84 DPP4 (0.70) DPP4DPP7DPP8
SCHEMBL6989649 0.84 DPP4 (0.70) DPP4DPP7DPP8

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
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP disclosed