Fumaric Acid

Fumaric Acid

SCHEMBL6337332

CCC1C=C(c2cc(F)cc3ccoc23)CCN1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.34

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
CDK9 P50750 4/20 0.33
CCNT1 O60563 2/20 0.33
GYS1 P13807 1/20 0.31

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 SCHEMBL6337336 1.00 CDK9 (0.33) CDK9CCNT1GYS1
Fumaric Acid SCHEMBL6335012 0.87 CCNT1 (0.36) CDK9CCNT1GYS1
Fumaric Acid SCHEMBL6335016 0.87 CCNT1 (0.36) CDK9CCNT1GYS1
SCHEMBL6330778 0.76 CCNT1 (0.41) CDK9CCNT1
Fumaric Acid SCHEMBL6339530 0.75 GYS1 (0.31) GYS1
Fumaric Acid SCHEMBL6339524 0.75 GYS1 (0.31) GYS1
Hydrochloric Acid SCHEMBL6339258 0.75 CCNT1 (0.40) CDK9CCNT1
Fumaric Acid SCHEMBL6334744 0.71 SLC22A12 (0.34)
Fumaric Acid SCHEMBL6334738 0.71 SLC22A12 (0.34)
SCHEMBL6337333 0.71 GYS1 (0.34) GYS1

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
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed