Oxalic Acid

Oxalic Acid

SCHEMBL8395194

N=C(Nc1cccc(NC(=O)OCc2ccccc2)c1)N1CCCC1.O=C(O)C(=O)O

nearest known ligand 0.60

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
MGLL Q99685 4/20 0.60
ENPP2 Q13822 4/20 0.55
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
KDM1B Q8NB78 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL8392121 0.98 MGLL (0.63) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL8395178 0.87 PARP1 (0.51) MGLLENPP2ALDH1A1MAPTPOLB
SCHEMBL8396200 0.82 MAPK1 (0.58) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8395203 0.81 MAPK1 (0.56) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL8392021 0.79 LMNA (0.50) NPC1ALDH1A1MAPTTSHRRAB9A
SCHEMBL8392960 0.79 F10 (0.56) NPC1RAB9A
Hydrochloric Acid SCHEMBL8397601 0.78 LMNA (0.49) NPC1ALDH1A1MAPTTSHRRAB9A
SCHEMBL7376222 0.78 DPP4 (0.49) MGLLNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8395561 0.78 MAPT (0.68) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
Oxalic Acid SCHEMBL8394089 0.77 ALDH1A1 (0.60) NPC1ALDH1A1TP53MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998399-A Guanidine derivatives useful in therapy as inhibitors of nitric oxide synthetase ASTRA AKTIEBOLAG (SE) 1999-12-07 US disclosed
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP disclosed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US disclosed