Maleic Acid

Maleic Acid

SCHEMBL7997142

CC(CO)C1SCN(CCCCN2CCN(c3csc4cc(F)ccc34)CC2)C1=O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.64

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 8)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 3/20 0.50
ADRA1A known ✓ P35348 1/20 0.46
HTR1A known ✓ P08908 2/20 0.36
DRD2 known ✓ P14416 1/20 0.36
ADRA1B known ✓ P35368 1/20 0.35
DRD4 P21917 2/20 0.50
MAPT P10636 1/20 0.38
TP53 P04637 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
SCHEMBL10474213 0.94 HTR2A (0.55) HTR2ADRD4ADRA1AMAPTHTR1A
Fumaric Acid SCHEMBL7835323 0.76 ADRA1A (0.54) HTR2ADRD4ADRA1AMAPTHTR1A
Fumaric Acid SCHEMBL7993860 0.75 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTHTR1A
Maleic Acid SCHEMBL7993854 0.75 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTHTR1A
Maleic Acid SCHEMBL9667377 0.75 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTHTR1A
Fumaric Acid SCHEMBL9667386 0.75 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTHTR1A
Fumaric Acid SCHEMBL7979548 0.73 DRD4 (0.88) HTR2ADRD4ADRA1AMAPT
Maleic Acid SCHEMBL7979544 0.73 DRD4 (0.88) HTR2ADRD4ADRA1AMAPT
Fumaric Acid SCHEMBL7816727 0.73 ADRA1A (0.57) HTR2ADRD4ADRA1ADRD2
Maleic Acid SCHEMBL7816722 0.73 ADRA1A (0.57) HTR2ADRD4ADRA1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed