Maleic Acid

Maleic Acid

SCHEMBL9700733

C=COS(=O)(=O)C=Cc1ccccc1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.50

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
PPARG known ✓ P37231 13/20 0.50
NFE2L2 Q16236 2/20 0.50
LMNA P02545 2/20 0.50
HDAC3 O15379 1/20 0.50
TNKS O95271 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PLIN1 O60240 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2402197 0.90 PPARG (0.59) PPARGNFE2L2LMNAALDH1A1HTT
SCHEMBL7194001 0.89 PPARG (0.58) PPARGNFE2L2LMNAALDH1A1HTT
SCHEMBL7217996 0.87 PPARG (0.41) PPARGNFE2L2LMNAHDAC3TNKS
Styrene SCHEMBL27563017 0.85 PPARG (0.54) PPARGNFE2L2LMNAALDH1A1HTT
SCHEMBL7211855 0.84 PPARG (0.47) PPARGNFE2L2LMNAHDAC3TNKS
SCHEMBL7213114 0.81 PPARG (0.42) PPARGNFE2L2LMNAHCAR2ALDH1A1
SCHEMBL1462403 0.79 HCAR2 (0.52) PPARGNFE2L2LMNAHDAC3TNKS
SCHEMBL3857849 0.79 HCAR2 (0.52) PPARGNFE2L2LMNAHDAC3TNKS
SCHEMBL28358859 0.78 PPARG (0.50) PPARGNFE2L2LMNAHDAC3TNKS
SCHEMBL28358616 0.78 PPARG (0.50) PPARGNFE2L2LMNAHDAC3TNKS

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171459-A Scale deposition inhibitor NALCO CHEMICAL COMPANY (US) 1992-12-15 US disclosed