Fumaric Acid

SCHEMBL8044827

C=CCN(C)C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)c(SC)c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.74

Known targets — ChEMBL curated mechanism

ADRB1 ADRB2 ATP4A ATP4B AXL CHRM2 CHRM3 DRD2 FLT3 HRH1 HTR2A HTR2B HTR2C KCNH2 KMT2A MAP2K1 MAP2K2 MEN1 MLNR PLK4 REN S1PR1 SLC6A2 SLC6A4 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 3)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1 known ✓	O00255	1/20	0.51

▸	KMT2A known ✓	Q03164	1/20	0.51

▸	LSS	P48449	20/20	0.74

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
Fumaric Acid SCHEMBL8044828	1.00	LSS (0.74)	LSSMEN1KMT2A
SCHEMBL7685742	0.96	LSS (0.72)	LSSMEN1KMT2A
SCHEMBL7685738	0.96	LSS (0.72)	LSSMEN1KMT2A
Fumaric Acid SCHEMBL8044919	0.85	LSS (1.00)	LSSMEN1KMT2A
SCHEMBL7688156	0.84	LSS (0.77)	LSSMEN1KMT2A
SCHEMBL3679389	0.83	LSS (0.75)	LSSMEN1KMT2A
SCHEMBL3679393	0.83	LSS (0.75)	LSSMEN1KMT2A
SCHEMBL8761374	0.82	LSS (0.74)	LSSMEN1KMT2A
SCHEMBL7681511	0.81	LSS (1.00)	LSSMEN1KMT2A
SCHEMBL7681518	0.81	LSS (1.00)	LSSMEN1KMT2A

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
US-6034275-A	FUGICIDES; ATICHOLESTEROL AGENTS	HOFFMANN-LA ROCHE INC. (US)	2000-03-07	—	—	US	disclosed