Fumaric Acid

Fumaric Acid

SCHEMBL9622181

COc1ccc(CSC2CCN(CC=Cc3ccccc3)CC2)c(OC)c1OC.O=C(O)C=CC(=O)O

nearest known ligand 0.49

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 15)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 5/20 0.44
MEN1 known ✓ O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MCHR1 Q99705 5/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 3/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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 SCHEMBL9622176 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MCHR1KMT2AMEN1
Fumaric Acid SCHEMBL9622178 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MCHR1KMT2AMEN1
SCHEMBL9367286 0.93 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MCHR1KMT2AMEN1
SCHEMBL9367280 0.93 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MCHR1KMT2AMEN1
SCHEMBL9622597 0.84 LMNA (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9622599 0.84 LMNA (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9622905 0.80 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MCHR1KMT2ALMNA
SCHEMBL9622908 0.80 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MCHR1KMT2ALMNA
SCHEMBL9622236 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2MCHR1KMT2ALMNA
SCHEMBL9622231 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2MCHR1KMT2ALMNA

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed