Oxalic Acid

Oxalic Acid

SCHEMBL10554393

O=C(NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1cscn1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.51

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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 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.51
SLC6A2 P23975 1/20 0.51
POLB P06746 1/20 0.47
CCR3 P51677 4/20 0.44
SSTR5 P35346 2/20 0.44
CYP2D6 P10635 1/20 0.43
HRH1 P35367 1/20 0.43
HTR1A P08908 1/20 0.43
NR4A2 P43354 1/20 0.42
KCNH2 Q12809 1/20 0.42

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 SCHEMBL10554399 1.00 SLC6A2 (0.51) SLC6A2SLC6A4POLBCCR3SSTR5
SCHEMBL9539081 0.98 SLC6A2 (0.51) SLC6A2SLC6A4POLBCCR3SSTR5
Oxalic Acid SCHEMBL9538009 0.87 PLD2 (0.47) SLC6A2SLC6A4POLBCCR3SSTR5
Oxalic Acid SCHEMBL9538011 0.87 PLD2 (0.47) SLC6A2SLC6A4POLBCCR3SSTR5
SCHEMBL9536266 0.86 OPRK1 (0.51) SLC6A2SLC6A4POLBSSTR5CYP2D6
SCHEMBL9536186 0.86 MAPT (0.56) SLC6A2SLC6A4POLBCCR3SSTR5
Oxalic Acid SCHEMBL9537867 0.85 POLB (0.46) SLC6A2SLC6A4POLBCCR3SSTR5
Oxalic Acid SCHEMBL9537860 0.85 POLB (0.46) SLC6A2SLC6A4POLBCCR3SSTR5
Oxalic Acid SCHEMBL9540591 0.85 ALDH1A1 (0.53) SLC6A2SLC6A4POLBCCR3SSTR5
SCHEMBL9535926 0.85 SLC6A2 (0.51) SLC6A2SLC6A4POLBCCR3SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed