Maleic Acid

Maleic Acid

SCHEMBL7993402

CC1SC(C)(C)C(=O)N1CCCCC1CNCCN1c1csc2cc(F)ccc12.O=C(O)/C=C\C(=O)O

nearest known ligand 0.60

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 7)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 2/20 0.60
ADRA1A known ✓ P35348 1/20 0.32
DRD4 P21917 2/20 0.60
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
TACR1 P25103 1/20 0.30
THRB P10828 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 SCHEMBL9298029 1.00 DRD4 (0.60) DRD4HTR2AADRA1ATP53MAPT
Maleic Acid SCHEMBL9298024 0.78 DRD4 (0.53) DRD4HTR2A
SCHEMBL7679404 0.75 DRD4 (1.00) DRD4HTR2AADRA1AMAPT
Maleic Acid SCHEMBL7979544 0.73 DRD4 (0.88) DRD4HTR2AADRA1AMAPT
Fumaric Acid SCHEMBL7979548 0.73 DRD4 (0.88) DRD4HTR2AADRA1AMAPT
Fumaric Acid SCHEMBL7993860 0.70 HTR2A (0.66) DRD4HTR2AADRA1ATP53MAPT
Maleic Acid SCHEMBL7993854 0.70 HTR2A (0.66) DRD4HTR2AADRA1ATP53MAPT
Fumaric Acid SCHEMBL3901905 0.69 TP53 (0.43) DRD4HTR2AADRA1ATP53MAPT
Maleic Acid SCHEMBL3901903 0.69 TP53 (0.43) DRD4HTR2AADRA1ATP53MAPT
Maleic Acid SCHEMBL9667377 0.67 HTR2A (0.65) DRD4HTR2AADRA1ATP53MAPT

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-5801186-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-09-01 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