Fumaric Acid

Fumaric Acid

SCHEMBL9013612

Cc1cc(OCCN2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Maleic Acid SCHEMBL9013610 1.00 KDM4E (0.50) KDM4ELMNAMAPTTSHRMAPK1
Fumaric Acid SCHEMBL9013669 0.93 HTR1A (0.50)
Maleic Acid SCHEMBL9013664 0.93 HTR1A (0.50)
SCHEMBL6588886 0.92 KDM4E (0.58) KDM4ELMNAMAPTTSHRMAPK1
Maleic Acid SCHEMBL6586481 0.89 HTR1A (0.51) KDM4ELMNAMAPT
Fumaric Acid SCHEMBL6586487 0.89 HTR1A (0.51) KDM4ELMNAMAPT
Fumaric Acid SCHEMBL9013491 0.89 ESR1 (0.48)
Maleic Acid SCHEMBL9013486 0.89 ESR1 (0.48)
Fumaric Acid SCHEMBL7894096 0.88 SLC6A2 (0.48) KDM4ELMNAMAPT
Maleic Acid SCHEMBL7894095 0.88 SLC6A2 (0.48) KDM4ELMNAMAPT

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-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed