Maleic Acid

Maleic Acid

SCHEMBL7526315

CCCCCCNC(=O)NOCC(O)CN1CCOCC1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.40

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
MTOR known ✓ P42345 1/20 0.39
EPHX2 P34913 1/20 0.40
TLR2 O60603 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.39
UGCG Q16739 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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 SCHEMBL7526322 1.00 EPHX2 (0.40) EPHX2TLR2MEN1KMT2ATP53
SCHEMBL3064740 0.82 KDM4E (0.48) EPHX2ALDH1A1ABCB1KDM4EUSP2
SCHEMBL3071012 0.82 KDM4E (0.48) EPHX2ALDH1A1ABCB1KDM4EUSP2
SCHEMBL7533440 0.82 KDM4E (0.48) EPHX2ALDH1A1ABCB1KDM4EUSP2
SCHEMBL7526319 0.82 TLR2 (0.41) EPHX2TLR2MEN1KMT2ATP53
SCHEMBL7525000 0.81 KDM4E (0.46) EPHX2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL8608808 0.79 KDM4E (0.45) EPHX2ALDH1A1ABCB1KDM4EUSP2
SCHEMBL3055428 0.73 ABCB1 (0.45) MEN1KMT2ACYP2D6CYP2C19ALDH1A1
SCHEMBL11830679 0.70 EPHX1 (0.58) EPHX2ALDH1A1SMN1; SMN2HTTPAOX
SCHEMBL11829405 0.70 EPHX1 (0.58) EPHX2ALDH1A1SMN1; SMN2HTTPAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832079-B1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO FEJLESZTOE KFT (HU) 2002-03-27 EP disclosed
US-6002002-A Anti-ischaemic hydroxylamine derivatives and pharmaceutical compositions BIOREX RESEARCH & DEVELOPMENT CO. (HU) 1999-12-14 US disclosed
EP-0832079-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1998-04-01 EP disclosed
WO-1997000251-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1997-01-03 WO disclosed