Fumaric Acid

SCHEMBL8484063

NC(C1CC1)C(COc1ccc2c(-c3ccc(Br)cc3)nccc2c1)C1CC1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.44

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 6)

	gene	UniProt	supporting neighbours	confidence
▸	LSS	P48449	11/20	0.44

▸	LNPEP	Q9UIQ6	2/20	0.31

▸	IRAK4	Q9NWZ3	1/20	0.31

▸	EPRS1	P07814	1/20	0.31

▸	ROCK1	Q13464	2/20	0.31

▸	ABL1	P00519	1/20	0.30

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
SCHEMBL8478710	0.92	LSS (0.46)	LSSROCK1
Fumaric Acid SCHEMBL8761342	0.83	LSS (0.42)	LSSIRAK4
Fumaric Acid SCHEMBL8484066	0.78	LSS (0.48)	LSSEPRS1
Fumaric Acid SCHEMBL8761348	0.74	LSS (0.43)	LSS
SCHEMBL8760774	0.73	LSS (0.43)	LSSROCK1
SCHEMBL8760852	0.73	LSS (0.55)	LSS
SCHEMBL8485030	0.68	LSS (0.49)	LSSLNPEP
SCHEMBL8478712	0.67	LSS (0.50)	LSSROCK1
SCHEMBL8484409	0.66	LSS (0.55)	LSSROCK1
SCHEMBL8484710	0.66	LSS (0.55)	LSS

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-5856503-A	ANTICHOLESTEROL AGENTS	HOFFMANN-LA ROCHE INC. (US)	1999-01-05	—	—	US	disclosed