Fumaric Acid

SCHEMBL8819834

CC(C)N1CCC(c2c[nH]c3c([N+](=O)[O-])cccc23)CC1.CCN1CCC(c2c[nH]c3c(C#N)cccc23)CC1.O=C(O)C(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ACE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ATP4A ATP4B AXL BTK CACNA1C CACNA1D CACNA1F CACNA1S CCR5 CHRM2 CHRM3 CPT1B CPT2 DPP4 DRD1 DRD2 EGFR ERBB2 ERBB4 FLT3 HRH1 HRH3 HTR1A HTR2A HTR2B HTR2C HTR4 JAK1 JAK2 JAK3 KCNH2 KMT2A MAP2K1 MAP2K2 MEN1 MLNR MPL MTOR P PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PLK4 PPARG REN S1PR1 SLC6A2 SLC6A3 SLC6A4 SMO TYK2 atpA atpB atpC atpD atpE atpF atpFH atpG pol

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)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A4 known ✓	P31645	2/20	0.34

▸	HTR2A known ✓	P28223	3/20	0.33

▸	DRD2 known ✓	P14416	1/20	0.33

▸	SLC6A2 known ✓	P23975	1/20	0.33

▸	KMT2A known ✓	Q03164	1/20	0.33

▸	CCR5 known ✓	P51681	1/20	0.32

▸	CCR2	P41597	8/20	0.38

▸	HTR7	P34969	3/20	0.33

▸	DNA2	P51530	1/20	0.33

▸	CASP6	P55212	1/20	0.33

▸	CTDSP1	Q9GZU7	1/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	BLM	P54132	1/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

▸	KDM4E	B2RXH2	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	OPRM1	P35372	1/20	0.32

▸	OPRK1	P41145	1/20	0.32

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.

Compound	similarity	top predicted	shared targets
Maleic Acid SCHEMBL8819829	1.00	CCR2 (0.38)	CCR2SLC6A4HTR2AHTR7DNA2
Fumaric Acid SCHEMBL8819839	1.00	CCR2 (0.38)	CCR2SLC6A4HTR2AHTR7DNA2
Maleic Acid SCHEMBL7864893	0.86	CCR2 (0.44)	CCR2DNA2CASP6CTDSP1MAPT
Fumaric Acid SCHEMBL7864896	0.86	CCR2 (0.44)	CCR2DNA2CASP6CTDSP1MAPT
Fumaric Acid SCHEMBL7864901	0.86	CCR2 (0.44)	CCR2DNA2CASP6CTDSP1MAPT
Oxalic Acid SCHEMBL7867275	0.82	SLC6A4 (0.47)	CCR2SLC6A4HTR2AHTR7DRD2
Maleic Acid SCHEMBL8818532	0.76	PDE4B (0.32)	—
Maleic Acid SCHEMBL8820580	0.74	KDM4E (0.32)	KDM4E
Fumaric Acid SCHEMBL7866327	0.73	CCR2 (0.47)	CCR2MAPTBLMNPSR1KDM4E
Maleic Acid SCHEMBL7866321	0.73	CCR2 (0.47)	CCR2MAPTBLMNPSR1KDM4E

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1997047302-A1	INHIBITION OF SEROTONIN REUPTAKE	ELI LILLY AND COMPANY (US)	1997-12-18	—	—	WO	disclosed