Maleic Acid

Maleic Acid

SCHEMBL8552735

CCCCN(CCc1c(C)oc2ccc(N(Cc3ccccc3)C(N)=O)cc12)Cc1cc[nH]c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.37

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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
HDAC1 Q13547 7/20 0.37
HDAC3 O15379 6/20 0.37
HDAC2 Q92769 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
HDAC4 P56524 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
BCHE P06276 1/20 0.33
THRB P10828 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
PMP22 Q01453 1/20 0.31
TP53 P04637 2/20 0.31
KCNH2 Q12809 1/20 0.31
THRA P10827 1/20 0.30

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 SCHEMBL7140325 0.87 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC11THRB
Maleic Acid SCHEMBL8551151 0.86 HDAC1 (0.36) HDAC1HDAC3HDAC2HDAC11HDAC4
Maleic Acid SCHEMBL8551457 0.77 HTR1F (0.41) BCHETP53MAPT
Maleic Acid SCHEMBL5310202 0.64
Maleic Acid SCHEMBL8551546 0.64 HDAC3 (0.39) HDAC1HDAC3HDAC2HDAC11HDAC4
SCHEMBL8549069 0.63 GNRHR (0.38) KDM4EALDH1A1TP53MAPT
Acetone SCHEMBL27748254 0.60 MAPT (0.56) HDAC1HDAC3HDAC2HDAC11HDAC4
SCHEMBL29642048 0.59 BCHE (0.56) HDAC1HDAC3HDAC2HDAC11HDAC4
SCHEMBL29642041 0.59 BCHE (0.56) HDAC1HDAC3HDAC2HDAC11HDAC4
SCHEMBL329300 0.59 MAPT (0.66) BCHEALDH1A1KCNH2MAPT

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