Fumaric Acid

Fumaric Acid

SCHEMBL9795302

CN(C)CCNC(=O)C1CCC(O[N+](=O)[O-])CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.33
PIK3CA known ✓ P42336 1/20 0.31
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 3/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
BCHE P06276 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PIP5K1C O60331 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL9795256 0.93 HSD11B1 (0.45) HSD11B1L3MBTL1TP53ADORA2AADORA1
Fumaric Acid SCHEMBL9795509 0.88 POLB (0.43) HSD11B1TP53KMT2APOLBBCHE
Fumaric Acid SCHEMBL9795497 0.84 KMT2A (0.33) KMT2ABCHESMN1; SMN2PKMTAAR1
Fumaric Acid SCHEMBL9795270 0.82 GNAI3 (0.34) KMT2AHTTBCHELMNATSHR
SCHEMBL9795239 0.80 POLB (0.48) HSD11B1TP53KMT2APOLBBCHE
Fumaric Acid SCHEMBL9795211 0.79 ALOX15 (0.43) L3MBTL1POLBSMN1; SMN2TSHRALDH1A1
Fumaric Acid SCHEMBL9795305 0.79 SMN1; SMN2 (0.38) KMT2AHSD17B10SMN1; SMN2
Fumaric Acid SCHEMBL9795340 0.78 ALDH1A1 (0.43) L3MBTL1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL9127574 0.78 KMT2A (0.34) KMT2AHSD17B10BCHEPKMTAAR1
Fumaric Acid SCHEMBL9795180 0.77 SMN1; SMN2 (0.42) HSD17B10SMN1; SMN2TSHR

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed