Oxalic Acid

Oxalic Acid

SCHEMBL7669148

CCN1CCN(c2nc(C=Cc3ccc(S(C)(=O)=O)cc3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.41

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
FLT3 P36888 2/20 0.40
KDM2B Q8NHM5 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 5/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2D6 P10635 2/20 0.37
GBA1 P04062 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37

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 SCHEMBL7669140 1.00 FLT3 (0.40) FLT3KDM2BSMN1; SMN2MAPTLMNA
SCHEMBL6289119 0.95 KDM2B (0.42) FLT3KDM2BSMN1; SMN2MAPTLMNA
SCHEMBL6289118 0.95 KDM2B (0.42) FLT3KDM2BSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL4793465 0.94 KDM2B (0.41) FLT3KDM2BSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL4793469 0.94 KDM2B (0.41) FLT3KDM2BSMN1; SMN2MAPTLMNA
Oxalic Acid SCHEMBL6288887 0.89 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNAKMT2ACYP1A2
Oxalic Acid SCHEMBL4772709 0.89 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNAKMT2ACYP1A2
Oxalic Acid SCHEMBL4772102 0.86 KDM4E (0.51) FLT3SMN1; SMN2MAPTLMNAKMT2A
Oxalic Acid SCHEMBL4772095 0.86 KDM4E (0.51) FLT3SMN1; SMN2MAPTLMNAKMT2A
Oxalic Acid SCHEMBL4772097 0.86 KDM4E (0.51) FLT3SMN1; SMN2MAPTLMNAKMT2A

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-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed