Oxalic Acid

Oxalic Acid

SCHEMBL9795138

NCCCC(=O)NCCO.O=C(O)C(=O)O

nearest known ligand 0.47

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
CNR1 P21554 5/20 0.47
BLM P54132 3/20 0.43
KMT2A Q03164 3/20 0.43
GABRR3 A8MPY1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
HDAC3 O15379 1/20 0.43
GABBR2 O75899 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRR2 P28476 1/20 0.43
SLC6A1 P30531 1/20 0.43
GABRA5 P31644 1/20 0.43

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
SCHEMBL8953975 0.94 CNR1 (0.51) CNR1BLMKMT2AALDH1A1MEN1
Oxalic Acid SCHEMBL9795286 0.90 CNR1 (0.44) CNR1BLMKMT2AGABRR3GABRP
SCHEMBL19860859 0.90 CNR1 (0.49) CNR1BLMKMT2AALDH1A1MEN1
SCHEMBL10965153 0.88 SLC6A5 (0.51) CNR1BLMKMT2AALDH1A1MEN1
Oxalic Acid SCHEMBL9795417 0.88 CNR2 (0.41) CNR1BLMKMT2ALMNATSHR
Oxalic Acid SCHEMBL7536073 0.86 SLC6A5 (0.44) CNR1TSHRCA1CA2SLC6A5
Oxalic Acid SCHEMBL8024643 0.86 SLC6A5 (0.44) CNR1TSHRCA1CA2SLC6A5
Phosphoric Acid SCHEMBL10889003 0.86 CNR1 (0.46) CNR1BLMKMT2AALDH1A1MEN1
SCHEMBL8830428 0.86 SLC6A5 (0.54) CNR1BLMKMT2ALMNATHRB
SCHEMBL27101191 0.86 SLC6A5 (0.54) CNR1BLMKMT2ALMNATHRB

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed