Oxalic Acid

Oxalic Acid

SCHEMBL7917829

CCOC(=O)CCC[C@H]1CC[C@@H](N(C)Cc2ccccc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.44

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 18)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.39
ALOX5 P09917 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 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 SCHEMBL7917823 1.00 ALOX5 (0.44) ALOX5L3MBTL1JAK2JAK1LTA4H
SCHEMBL7918443 0.98 ALOX5 (0.46) ALOX5L3MBTL1JAK2JAK1LTA4H
SCHEMBL7918436 0.98 ALOX5 (0.46) ALOX5L3MBTL1JAK2JAK1LTA4H
SCHEMBL7917801 0.89 ALOX5 (0.47) ALOX5L3MBTL1LTA4HALDH1A1TDP1
Oxalic Acid SCHEMBL7908156 0.81 JAK2 (0.43) JAK2JAK1KMT2AOPRM1NPC1
Oxalic Acid SCHEMBL7908151 0.81 JAK2 (0.43) JAK2JAK1KMT2AOPRM1NPC1
SCHEMBL7908154 0.80 JAK2 (0.43) L3MBTL1JAK2JAK1KMT2ANPC1
SCHEMBL7908155 0.80 JAK2 (0.43) L3MBTL1JAK2JAK1KMT2ANPC1
Oxalic Acid SCHEMBL7916381 0.77 JAK2 (0.41) L3MBTL1JAK2JAK1ALDH1A1KMT2A
SCHEMBL3901891 0.76 ALDH1A1 (0.46) ALOX5L3MBTL1ALDH1A1TDP1LMNA

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-6211219-B1 DRUGS, ANALGESICS AND AGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-04-03 US disclosed