Fumaric Acid

SCHEMBL9636731

O=C(O)/C=C/C(=O)O.O=C1CCN(CC2c3ccoc3CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.90

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 2)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	14/20	0.90

▸	OPRD1	P41143	5/20	0.50

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 SCHEMBL9636739	1.00	OPRK1 (0.90)	OPRK1OPRD1
SCHEMBL9636800	0.95	OPRK1 (1.00)	OPRK1OPRD1
Fumaric Acid SCHEMBL9637934	0.86	OPRK1 (0.90)	OPRK1OPRD1
Fumaric Acid SCHEMBL9637939	0.86	OPRK1 (0.90)	OPRK1OPRD1
SCHEMBL9636786	0.84	OPRK1 (1.00)	OPRK1OPRD1
Fumaric Acid SCHEMBL9637844	0.83	OPRK1 (0.89)	OPRK1OPRD1
Fumaric Acid SCHEMBL9637849	0.83	OPRK1 (0.89)	OPRK1OPRD1
SCHEMBL9637818	0.80	OPRK1 (1.00)	OPRK1OPRD1
SCHEMBL9636801	0.80	OPRK1 (1.00)	OPRK1OPRD1
SCHEMBL29877787	0.80	OPRK1 (1.00)	OPRK1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5109008-A	Analgesics, diuretics, antiischemic agents	GLAXO GROUP LIMITED (GB)	1992-04-28	—	—	US	disclosed
EP-0366327-A1	Furo- and thieno[3,2-c]pyridines and pharmaceutical compositions containing them	GLAXO GROUP LIMITED (GB)	1990-05-02	—	—	EP	disclosed