Maleic Acid

Maleic Acid

SCHEMBL9602648

CC(C)NCC(O)COc1ccccc1N1N=C2c3cc(F)ccc3CCC2CC1=O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.40

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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 11)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 6/20 0.39
ADRB1 known ✓ P08588 6/20 0.39
HTR1A known ✓ P08908 1/20 0.35
HTR2A known ✓ P28223 1/20 0.35
SLC6A4 known ✓ P31645 1/20 0.35
ADRA1A known ✓ P35348 1/20 0.35
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
ADRB3 P13945 2/20 0.35
SLC22A1 O15245 1/20 0.35
LMNA P02545 1/20 0.35

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 SCHEMBL9602652 1.00 CYP1A2 (0.40) CYP1A2CYP2D6ADRB2ADRB1ADRB3
Fumaric Acid SCHEMBL9602547 0.88 LMNA (0.41) CYP1A2CYP2D6ADRB2ADRB1ADRB3
Maleic Acid SCHEMBL9602540 0.88 LMNA (0.41) CYP1A2CYP2D6ADRB2ADRB1ADRB3
Methyprylon SCHEMBL10445130 0.84 CYP1A2 (0.36) CYP1A2CYP2D6ADRB2ADRB1ADRB3
SCHEMBL9601947 0.82 ADRB1 (0.39) CYP1A2CYP2D6ADRB2ADRB1ADRB3
SCHEMBL9605374 0.80 XIAP (0.33) HTR2A
Fumaric Acid SCHEMBL9865911 0.76 KDM4E (0.35) LMNAHTR2A
Fumaric Acid SCHEMBL9603160 0.74 KDM4E (0.35) LMNAHTR2A
Fumaric Acid SCHEMBL9603164 0.74 KDM4E (0.35) LMNAHTR2A
Fumaric Acid SCHEMBL9866670 0.74 LMNA (0.34) LMNASLC6A4

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-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed