Maleic Acid

Maleic Acid

SCHEMBL8551457

CCCCN(CCc1c(C)oc2ccc(NC(=O)c3ccc(F)cc3)cc12)Cc1cc[nH]c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.41

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 7)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.41
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
BCHE P06276 2/20 0.34
MCHR1 Q99705 1/20 0.34

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 SCHEMBL8190943 0.86 HTR1F (0.59) HTR1FMAPTSMN1; SMN2POLB
Maleic Acid SCHEMBL8552223 0.86 HTR1F (0.41) HTR1FMAPTTP53POLBBCHE
Maleic Acid SCHEMBL8552735 0.77 HDAC1 (0.37) MAPTTP53BCHE
SCHEMBL8552580 0.75 HTR1F (0.65) HTR1FMAPTTP53SMN1; SMN2POLB
SCHEMBL8548549 0.74 HTR1F (0.50) HTR1FMAPTTP53SMN1; SMN2POLB
SCHEMBL8548601 0.72 HTR1F (0.45) HTR1F
SCHEMBL8548442 0.70 HTR1F (0.48) HTR1FMAPTTP53SMN1; SMN2
SCHEMBL8551588 0.69 TMEM97 (0.48) HTR1FMAPTTP53SMN1; SMN2MCHR1
Maleic Acid SCHEMBL7143351 0.69 HDAC1 (0.40) HTR1FSMN1; SMN2
Hydrochloric Acid SCHEMBL8552084 0.67 MAPT (0.40) HTR1FMAPTSMN1; SMN2POLB

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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed