Oxalic Acid

Oxalic Acid

SCHEMBL8024643

NCCCNC(=O)CCCO.O=C(O)C(=O)O

nearest known ligand 0.45

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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 13)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.44
NAAA Q02083 1/20 0.43
CNR1 P21554 2/20 0.41
TSHR P16473 1/20 0.40
DNM1 Q05193 1/20 0.39
PAOX Q6QHF9 2/20 0.38
CAMK2A Q9UQM7 1/20 0.38
KDM4A O75164 1/20 0.38
HIF1A Q16665 1/20 0.38
TET2 Q6N021 1/20 0.38
DOHH Q9BU89 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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 SCHEMBL7536073 1.00 SLC6A5 (0.44) SLC6A5NAAACNR1TSHRDNM1
SCHEMBL10594732 0.94 SLC6A5 (0.47) SLC6A5NAAACNR1TSHRDNM1
Oxalic Acid SCHEMBL9795286 0.92 CNR1 (0.44) SLC6A5NAAACNR1TSHRDNM1
SCHEMBL17230156 0.88 SLC6A5 (0.50) SLC6A5NAAACNR1TSHRDNM1
SCHEMBL30406271 0.86 SLC6A5 (0.53) SLC6A5NAAACNR1DNM1PAOX
SCHEMBL10795093 0.86 SLC6A5 (0.53) SLC6A5NAAACNR1DNM1PAOX
Oxalic Acid SCHEMBL9795138 0.86 CNR1 (0.47) SLC6A5CNR1TSHRCA1CA2
SCHEMBL7844220 0.85 NAAA (0.52) SLC6A5NAAACNR1TSHRDNM1
Oxalic Acid SCHEMBL9795198 0.85 FNTA (0.44) SLC6A5NAAACNR1DNM1
SCHEMBL27406932 0.84 NAAA (0.59) SLC6A5NAAATSHRPAOXKDM4A

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
US-6166207-A Preparation of bicyclic amidines and diazacycloalkenes BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed