Maleic Acid

Maleic Acid

SCHEMBL7925129

NC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc21.O=C(O)/C=C\C(=O)O

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic 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)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 13/20 0.69
SLC6A2 known ✓ P23975 12/20 0.69
SLC6A3 known ✓ Q01959 12/20 0.69
MTOR known ✓ P42345 1/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.50
CYP2D6 P10635 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL21694958 0.88 SLC6A2 (0.74) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Fumaric Acid SCHEMBL7932100 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL7925131 0.80 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Sertraline SCHEMBL5143430 0.76 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Sertraline SCHEMBL398733 0.76 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Sertraline SCHEMBL398732 0.76 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Desmethylsertraline SCHEMBL259292 0.75 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Dasotraline SCHEMBL263142 0.75 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Desmethylsertraline SCHEMBL4570539 0.75 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3TP53CYP1A2
Desmethylsertraline SCHEMBL260449 0.75 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268535-B1 REACTING BENZENE SUBSTITUTED UNSATURATED CARBOXYLIC ACID IN PRESENCE OF FRIEDEL-CRAFT CATALYST WITH BENZENE COMPOUND TO FORM 3-ARYL-3-PHENYL-1-PROPANOIC ACID REACTING TO FORM 3-ARYL INDAN; REDUCING, REACTING WITH AMINE TO FORM 3-ARYLINDANAMINE PHARM-ECO LABORATORIES, INC. 2001-07-31 US disclosed
EP-1044184-A1 SYNTHESIS OF 3-ARYL-1-INDANAMINES Pharm-Eco Laboratoires, Incorporated (US) 2000-10-18 EP disclosed
WO-1999035119-A1 SYNTHESIS OF 3-ARYL-1-INDANAMINES PHARM-ECO LABORATORIES, INC. (US) 1999-07-15 WO disclosed