Maleic Acid

Maleic Acid

SCHEMBL30145281

CNC(=O)N1CCCCC1c1ccc(F)cc1C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.47

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 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.47
GRM5 P41594 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30145299 0.93 TACR1 (0.52) TACR1GRM5RIPK1ALDH1A1
SCHEMBL6064290 0.82 TACR1 (0.54) TACR1GRM5RIPK1
SCHEMBL6064294 0.82 TACR1 (0.54) TACR1GRM5RIPK1
SCHEMBL6550098 0.81 TACR1 (0.53) TACR1GRM5RIPK1
SCHEMBL5218238 0.79 TACR1 (0.53) TACR1GRM5RIPK1
SCHEMBL5811883 0.73 TACR1 (0.43) TACR1GRM5RIPK1
SCHEMBL13451348 0.69 TACR1 (0.78) TACR1
SCHEMBL5255105 0.69 TACR1 (0.44) TACR1
SCHEMBL5414345 0.69 TACR1 (0.44) TACR1
SCHEMBL4014194 0.68 TACR1 (0.64) TACR1

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-20220409599-A1 USE AND COMPOSITION FOR PROTECTION AGAINST ORGANOPHOSPHORUS POISONING CLARENCE SMITH KATHLEEN E (US) 2022-12-29 US disclosed