Oxalic Acid

Oxalic Acid

SCHEMBL7993398

COc1ccccc1N1CCN(CCCCN2CSC(C)C2=O)CC1.O=C(O)C(=O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
DRD2 P14416 6/20 0.63
DRD3 P35462 6/20 0.63
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
DRD4 P21917 1/20 0.56
CYP1A2 P05177 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR7 P34969 1/20 0.55

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
SCHEMBL7996612 0.95 HTR1A (0.60) KDM4EALDH1A1DRD2DRD3MEN1
SCHEMBL7990544 0.76 HTR7 (0.66) KDM4EALDH1A1DRD2DRD3MEN1
SCHEMBL7993401 0.76 HTR1A (0.57) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL11030623 0.75 HTR1A (0.73) KDM4EALDH1A1TDP1DRD2MEN1
SCHEMBL1491175 0.75 HTR1A (0.71) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL6244716 0.74 DRD2 (0.72) KDM4EALDH1A1DRD2DRD3MEN1
SCHEMBL7991570 0.74 HTR1A (0.60) ALDH1A1DRD2DRD3MEN1KMT2A
SCHEMBL7979105 0.74 HTR7 (0.64) KDM4EALDH1A1DRD2DRD3MEN1
SCHEMBL6526368 0.74 DRD2 (0.85) ALDH1A1DRD2DRD3MEN1KMT2A
SCHEMBL6956822 0.74 KDM4E (0.72) KDM4EALDH1A1TDP1DRD2DRD3

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 8 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
EP-0316723-B1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-30 EP 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
EP-0316723-A1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-05-24 EP disclosed