Maleic Acid

Maleic Acid

SCHEMBL8819087

CC(C)N1CCC(c2cc3cc([N+](=O)[O-])ccc3s2)CC1.CCN1CCC(c2cc3cc(C#N)ccc3s2)CC1.CCN1CCC(c2cc3cc(NC=O)ccc3s2)CC1.O=C(O)/C=C\C(=O)O.O=C(O)C(=O)O.O=P(O)(O)O

nearest known ligand 0.34

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
HRH3 known ✓ Q9Y5N1 1/20 0.31
F10 P00742 2/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
RAD52 P43351 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
UTS2R Q9UKP6 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 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
Fumaric Acid SCHEMBL7866304 0.79 LMNA (0.46) F10KMT2AALDH1A1MEN1GAA
Maleic Acid SCHEMBL7866295 0.79 LMNA (0.46) F10KMT2AALDH1A1MEN1GAA
Phosphoric Acid SCHEMBL7867952 0.76 DRD2 (0.45) KDM4E
Oxalic Acid SCHEMBL7866271 0.76 DRD2 (0.46) UTS2RHRH3
Maleic Acid SCHEMBL8818384 0.73 CCR2 (0.38) MAPTBLM
Fumaric Acid SCHEMBL7865059 0.72 ALDH1A1 (0.40) F10KMT2AALDH1A1MEN1GAA
Maleic Acid SCHEMBL7865055 0.72 ALDH1A1 (0.40) F10KMT2AALDH1A1MEN1GAA
Phosphoric Acid SCHEMBL7867446 0.71 SLC6A4 (0.44) KDM4E
Oxalic Acid SCHEMBL8818436 0.69 DRD2 (0.37) HRH3
Oxalic Acid SCHEMBL7866233 0.69 DRD2 (0.46) UTS2RHRH3

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
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed