Oxalic Acid

Oxalic Acid

SCHEMBL9201346

O=C(O)C(=O)O.O=C1NCCN1c1ccc(F)cc1

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
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
EIF2AK2 P19525 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB8 P26012 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL305860 0.91 ALDH1A1 (0.55) ALDH1A1POLBEIF2AK2RAB9AMAPT
SCHEMBL1259982 0.82 ALDH1A1 (0.46) ALDH1A1POLBRAB9ANPC1MAPT
SCHEMBL10022670 0.81 ALDH1A1 (0.57) ALDH1A1POLBEIF2AK2MAPTMEN1
SCHEMBL2199529 0.78 KMT2A (0.41) ALDH1A1POLBEIF2AK2MAPTMEN1
SCHEMBL146714 0.77 NPC1 (0.56) ALDH1A1POLBEIF2AK2RAB9ANPC1
SCHEMBL5727688 0.77 POLB (0.47) ALDH1A1POLBEIF2AK2RAB9ANPC1
SCHEMBL19002557 0.76 L3MBTL1 (0.53) ALDH1A1EIF2AK2RAB9ANPC1MAPT
SCHEMBL457815 0.76 EIF2AK2 (0.46) ALDH1A1POLBEIF2AK2RAB9ANPC1
SCHEMBL4667907 0.76 EIF2AK2 (0.39) ALDH1A1POLBEIF2AK2RAB9ANPC1
SCHEMBL4712786 0.76 DDB1 (0.56) ALDH1A1POLBEIF2AK2RAB9ANPC1

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-0673375-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013659-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed