Oxalic Acid

Oxalic Acid

SCHEMBL7318481

COc1ccc(CCCNCC(O)c2ccc(O)c(O)c2)cc1.O=C(O)C(=O)O

nearest known ligand 0.64

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 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.53
KDM4E B2RXH2 1/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ADRB3 P13945 6/20 0.60
ADRB2 P07550 10/20 0.58
ADRB1 P08588 5/20 0.58
DRD2 P14416 4/20 0.58
DRD1 P21728 4/20 0.58
DRD4 P21917 4/20 0.58
DRD3 P35462 4/20 0.58
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
IGF1R P08069 1/20 0.51
ALOX15 P16050 1/20 0.51

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
Oxalic Acid SCHEMBL9239982 1.00 KDM4E (0.64) KDM4EGAASMN1; SMN2TDP1ADRB3
SCHEMBL9239987 0.87 KDM4E (0.55) KDM4EGAASMN1; SMN2TDP1ADRB3
SCHEMBL7318477 0.87 KDM4E (0.55) KDM4EGAASMN1; SMN2TDP1ADRB3
SCHEMBL7301591 0.87 KDM4E (0.55) KDM4EGAASMN1; SMN2TDP1ADRB3
SCHEMBL9677594 0.84 IGF1R (0.48) KDM4EGAASMN1; SMN2TDP1ADRB3
SCHEMBL9239995 0.84 IGF1R (0.48) KDM4EGAASMN1; SMN2TDP1ADRB3
Arbutamine SCHEMBL7870502 0.84 ADRB2 (0.58) KDM4EADRB3ADRB2ADRB1DRD2
SCHEMBL15277792 0.83 ADRB2 (0.69) ADRB3ADRB2ADRB1DRD2DRD3
SCHEMBL11023341 0.83 ADRB2 (0.57) KDM4EADRB3ADRB2ADRB1DRD2
Oxalic Acid SCHEMBL8557358 0.82 ADRB2 (0.59) KDM4EGAASMN1; SMN2TDP1ADRB3

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
EP-0658538-B1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA INC (US) 1997-10-29 EP disclosed
EP-0329464-B1 System for the closed-loop administration of an exercise simulating agent GENSIA INC (US) 1995-11-02 EP disclosed
US-5460605-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-10-24 US disclosed
EP-0658538-A1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-06-21 EP disclosed
US-5395970-A 1-(3,4-dihydroxyphenyl)-2-(4-(4-hydroxyphenyl)butaylamino)ethanol GENSIA PHARMACEUTICALS, INC. (US) 1995-03-07 US disclosed
US-5286252-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1994-02-15 US disclosed
US-5234404-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1993-08-10 US disclosed
US-5108363-A DIAGNOSIS, EVALUATION AND TREATMENT OF CORONARY ARTERY DISEASE BY EXERCISE SIMULATION USING CLOSED LOOP DRUG DELIVERY OF AN EXERCISE SIMULATING AGENT BETA AGONIST GENSIA PHARMACEUTICALS, INC. (US) 1992-04-28 US disclosed