Maleic Acid

Maleic Acid

SCHEMBL8550450

NC(=S)N(Cc1ccccc1)c1ccc2scc(CCNCc3cc[nH]c3)c2c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.37

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
TAAR1 Q96RJ0 1/20 0.37
HTR6 P50406 1/20 0.35
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MTNR1A P48039 6/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
MTNR1B P49286 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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 SCHEMBL7145974 0.86 HTR6 (0.45) HTR6BCHEACHEHDAC3HDAC4
Maleic Acid SCHEMBL8551546 0.84 HDAC3 (0.39) HTR6BCHEACHEMTNR1AHDAC3
Maleic Acid SCHEMBL8551151 0.64 HDAC1 (0.36) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL8612544 0.60 ALDH1A1 (0.49) CA12CA1CA2CA9
Fumaric Acid SCHEMBL29728074 0.59 CAPN1 (0.41) TAAR1MAPT
SCHEMBL8615325 0.59 ALDH1A1 (0.47) CA12CA1CA2CA9
SCHEMBL16718679 0.57 ALDH1A1 (0.53)
SCHEMBL8130906 0.56 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL31370245 0.56 MTNR1A (0.55) TAAR1MTNR1AHDAC1HDAC6CA12
SCHEMBL8616953 0.56 SLC22A2 (0.47)

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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed