Fumaric Acid

Fumaric Acid

SCHEMBL6904086

CCCCNCCCC.O=C(O)C=CC(=O)O

nearest known ligand 0.50

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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 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.50
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
PAOX Q6QHF9 1/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
EPHX1 P07099 2/20 0.41
GAA P10253 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
Maleic Acid SCHEMBL11249013 0.91 ALDH1A1 (0.56) HCAR2TSHRALDH1A1ADH1BADH1C
Fumaric Acid SCHEMBL11249020 0.91 ALDH1A1 (0.56) HCAR2TSHRALDH1A1ADH1BADH1C
Fumaric Acid SCHEMBL9420126 0.90 ALOX15 (0.44) HCAR2TSHRALDH1A1ALOX15ADH1B
Fumaric Acid SCHEMBL21145333 0.85 TSHR (0.47) HCAR2TSHRALDH1A1ADH1BADH1A
Fumaric Acid SCHEMBL21145335 0.85 TSHR (0.47) HCAR2TSHRALDH1A1ADH1BADH1A
Bicarbonate SCHEMBL28699185 0.85 TSHR (0.58) TSHRALDH1A1ALOX15ADH1BADH1C
Bicarbonate SCHEMBL910039 0.85 TSHR (0.58) TSHRALDH1A1ALOX15ADH1BADH1C
Sorbic Acid SCHEMBL11374488 0.84 ACHE (0.46) HCAR2TSHRALDH1A1ALOX15ADH1B
Fumaric Acid SCHEMBL18696155 0.84 ALDH1A1 (0.48) HCAR2TSHRALDH1A1ADH1BADH1C
Sorbic Acid SCHEMBL11374490 0.84 ACHE (0.46) HCAR2TSHRALDH1A1ALOX15ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200230854-A1 ADHESIVE AND METHOD OF BONDING TO RIGID SUBSTRATES LORD CORP (US) 2020-07-23 US disclosed
WO-2018152497-A1 ADHESIVE AND METHOD OF BONDING TO RIGID SUBSTRATES LORD CORPORATION (US) 2018-08-23 WO disclosed
WO-2013004646-A1 LAMINATE FOR PACKAGING UNILEVER N.V. (NL) 2013-01-10 WO disclosed
EP-0864610-B1 Semiaromatic polyamide resin composition MITSUI CHEMICALS INC (JP) 2004-01-21 EP disclosed
EP-0758675-B1 Adhesive polypropylene resin composition and multi-layer laminate body using the resin composition MITSUI CHEMICALS INC (JP) 2001-01-31 EP disclosed
US-6117942-A GRAFT-MODIFIED ETHYLENE-ALPHA OLEFIN COPOLYMER, A POLYTEREPHTHALAMIDE EXHIBITS EXCELLENT ANTI-CREEPING PROPERTY UNDER HIGH-TEMPERATURE AND HIGH-HUMIDITY CONDITIONS, MOLDING MATERIAL MITSUI CHEMICALS (JP) 2000-09-12 US disclosed
EP-0864610-A1 Semiaromatic polyamide resin composition Mitsui Chemicals, Inc. (JP) 1998-09-16 EP disclosed
US-5695838-A GRAFT-MODIFIED WITH UNSATURATED ACID AND ACID ANHYDRIDE; IMPROVED ADHESION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-12-09 US disclosed
EP-0758675-A2 Adhesive polypropylene resin composition and multi-layer laminate body using the resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-02-19 EP disclosed
EP-0479561-B1 Process for heat-treating a polyolefin coating on metal in the presence of a treating agent MITSUI PETROCHEMICAL IND (JP) 1995-08-23 EP disclosed
US-5275848-A Process for preparing a laminate of metal and a polyolefin resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-01-04 US disclosed
EP-0479561-A2 Process for heat-treating a polyolefin coating on metal in the presence of a treating agent MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed