Oxalic Acid

Oxalic Acid

SCHEMBL7204204

NCCC(N)c1ncccn1.O=C(O)C(=O)O

nearest known ligand 0.35

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 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRR1 P24046 2/20 0.33
HRH1 P35367 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CPB2 Q96IY4 1/20 0.33
PTPRA P18433 1/20 0.33
NAPRT Q6XQN6 2/20 0.32
SLC1A5 Q15758 1/20 0.32
KDM4E B2RXH2 2/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL7202973 0.88 HRH1 (0.37) HRH1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8507915 0.86 HRH1 (0.35) HRH1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL27295541 0.86 HRH1 (0.35) HRH1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9034342 0.84 HRH1 (0.34) HRH1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9034349 0.84 HRH1 (0.34) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9032427 0.78 HRH1 (0.39) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16151353 0.76 KMT2A (0.40) P2RX7KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL18794908 0.74 HRH1 (0.43) HRH1CPB2DPP8DPP7GSR
SCHEMBL3525274 0.72 GRIN2D (0.36) P2RX7HRH1GRIN2DGRIN3BGRIN1
SCHEMBL23326080 0.71 TLR8 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714396-B1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-12-10 EP disclosed
EP-0714388-B1 VASOCONSTRICTIVE SUBSTITUTED ARYLOXYALKYL DIAMINES JANSSEN PHARMACEUTICA NV (BE) 1998-04-15 EP disclosed