Maleic Acid

Maleic Acid

SCHEMBL8645980

C=CC(=O)NC(C)(C)C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.43

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
EGFR known ✓ P00533 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 4/20 0.39
TP53 P04637 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
GAA P10253 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
NMT1 P30419 1/20 0.32
TGM2 P21980 1/20 0.32

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
Fumaric Acid SCHEMBL8645982 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
Acrylic Acid SCHEMBL859634 0.91 LMNA (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
Bicarbonate SCHEMBL8361455 0.89 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL26705 0.89
SCHEMBL35506 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL3468962 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL19457855 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
Hydrochloric Acid SCHEMBL29176180 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
Fluoride SCHEMBL21409814 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR
Ammonia Solution, Strong SCHEMBL1036558 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19EGFR

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861064-A1 HAIR STYLING COMPOSITIONS CONTAINING NON-SILICONE AND SILICONE GRAFTED POLYMERS AND LOW LEVEL OF A VOLATILE HYDROCARBON SOLVENT THE PROCTER & GAMBLE COMPANY (US) 1998-09-02 EP disclosed
WO-1997015275-A1 HAIR STYLING COMPOSITIONS CONTAINING NON-SILICONE AND SILICONE GRAFTED POLYMERS AND LOW LEVEL OF A VOLATILE HYDROCARBON SOLVENT THE PROCTER & GAMBLE COMPANY (US) 1997-05-01 WO disclosed