Maleic Acid

Maleic Acid

SCHEMBL6137322

CC(C)c1cccc(C(N)=O)c1C(C)C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.44

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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
SLC6A2 known ✓ P23975 1/20 0.36
HTR2C known ✓ P28335 1/20 0.36
HTR2B known ✓ P41595 1/20 0.36
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PARP1 P09874 3/20 0.36
PARP15 Q460N3 2/20 0.36
PARP14 Q460N5 2/20 0.36
PARP10 Q53GL7 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL30797325 0.90 IRAK4 (0.44) KDM4EHPGDALDH1A1IRAK4LMNA
SCHEMBL458410 0.90 IRAK4 (0.44) KDM4EHPGDALDH1A1IRAK4LMNA
Oxalic Acid SCHEMBL23529511 0.89 IRAK4 (0.41) KDM4EHPGDALDH1A1IRAK4LMNA
Hydrochloric Acid SCHEMBL29160773 0.89 IRAK4 (0.43) KDM4EHPGDALDH1A1IRAK4LMNA
Hydrochloric Acid SCHEMBL30797245 0.89 IRAK4 (0.43) KDM4EHPGDALDH1A1IRAK4LMNA
SCHEMBL2977145 0.79 IRAK4 (0.50) KDM4EHPGDALDH1A1IRAK4PARP1
SCHEMBL16466774 0.78 LMNA (0.45) KDM4EHPGDALDH1A1LMNAKMT2A
SCHEMBL1832020 0.76 IRAK4 (0.44) KDM4EHPGDALDH1A1IRAK4PARP1
Hydrochloric Acid SCHEMBL9117656 0.76 LMNA (0.43) KDM4EHPGDALDH1A1LMNAKMT2A
SCHEMBL29214418 0.76 GABRA1 (0.46) HPGDALDH1A1LMNAKMT2AFAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411935-A4 USE OF 4- (4-THIAZOLYL)PHENOXL] ALKOXY-BENZAMIDINE DERIVATIVES FOR TREATMENT OF OSTEOPOROSIS DONG WHA PHARM IND CO LTD (KR) 2005-11-09 EP disclosed
EP-1411935-A1 USE OF 4- (4-THIAZOLYL)PHENOXL] ALKOXY-BENZAMIDINE DERIVATIVES FOR TREATMENT OF OSTEOPOROSIS DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2004-04-28 EP disclosed
WO-2003007947-A1 USE OF 4-[(4-THIAZOLYL)PHENOXL] ALKOXY-BENZAMIDINE DERIVATIVES FOR TREATMENT OF OSTEOPOROSIS DONG WHA PHARM. IND. CO., LTD. (KR) 2003-01-30 WO disclosed