Maleic Acid

Maleic Acid

SCHEMBL8670810

COc1ccc2c(c1)N(C)C1N(C)CCC21C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.64

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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
HRH3 known ✓ Q9Y5N1 1/20 0.53
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.64
BLM P54132 2/20 0.64
MAPT P10636 2/20 0.64
G6PD P11413 1/20 0.64
GMNN O75496 1/20 0.64
THRB P10828 1/20 0.64
PMP22 Q01453 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ACHE P22303 16/20 0.56
BCHE P06276 11/20 0.56
CYP2D6 P10635 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
PTGS1 P23219 1/20 0.53

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
Fumaric Acid SCHEMBL9029647 1.00 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2LMNABLM
Fumaric Acid SCHEMBL9029655 1.00 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2LMNABLM
SCHEMBL8883300 0.89 ACHE (0.56) KDM4EALDH1A1SMN1; SMN2LMNABLM
SCHEMBL8669894 0.89 ACHE (0.56) KDM4EALDH1A1SMN1; SMN2LMNABLM
SCHEMBL9028194 0.89 ACHE (0.56) KDM4EALDH1A1SMN1; SMN2LMNABLM
Maleic Acid SCHEMBL8673103 0.88 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2LMNABLM
Maleic Acid SCHEMBL8668041 0.85 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2LMNABLM
Fumaric Acid SCHEMBL9030046 0.85 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2LMNABLM
Fumaric Acid SCHEMBL8883754 0.85 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2LMNABLM
Fumaric Acid SCHEMBL9208733 0.81 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2LMNABLM

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-5726323-A COMPOUNDS USEFUL FOR ALLEVIATING MEMORY DYSFUNCTIONS HOECHST MARION ROUSSEL, INC. 1998-03-10 US disclosed