Fumaric Acid

Fumaric Acid

SCHEMBL6986745

CC(C)(CNc1ncc(Cl)cc1Cl)NCC(=O)N1CCCC1C#N.O=C(O)/C=C/C(=O)O

nearest known ligand 0.57

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 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
DPP8 Q6V1X1 4/20 0.49
DPP9 Q86TI2 4/20 0.49
FAP Q12884 1/20 0.49
DPP7 Q9UHL4 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 SCHEMBL6705064 1.00 DPP4 (0.57) DPP4DPP8DPP9FAPDPP7
SCHEMBL7336939 0.95 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL7336933 0.95 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
Fumaric Acid SCHEMBL6700962 0.86 DPP4 (0.72) DPP4DPP8DPP7
Fumaric Acid SCHEMBL6700501 0.82 DPP4 (0.59) DPP4DPP8DPP9DPP7
Fumaric Acid SCHEMBL6697653 0.82 DPP4 (0.62) DPP4DPP8DPP9DPP7
SCHEMBL7335885 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7
SCHEMBL7335876 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7
Fumaric Acid SCHEMBL6703274 0.80 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
Fumaric Acid SCHEMBL6702216 0.80 DPP4 (0.58) DPP4DPP7

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