Oxalic Acid

Oxalic Acid

SCHEMBL7994699

CC(=O)c1ccc(NCCCc2c[nH]cn2)cc1.O=C(O)C(=O)O

nearest known ligand 0.37

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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 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
FLT3 P36888 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2B P18089 1/20 0.34
OPRD1 P41143 1/20 0.34
SCN5A Q14524 1/20 0.34
CYP19A1 P11511 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL7991460 0.85 TP53 (0.37) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL7987751 0.85 CHRM1 (0.39) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4379745 0.82 HPGD (0.43) MAPTSMN1; SMN2ALDH1A1TDP1NPC1
SCHEMBL7994461 0.77 RAB9A (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
Oxalic Acid SCHEMBL7991119 0.77 SMN1; SMN2 (0.40) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL4389350 0.77 CXCR4 (0.41) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL4376612 0.76 MCHR1 (0.43) MAPTSMN1; SMN2POLB
SCHEMBL4376187 0.76 L3MBTL1 (0.59) MAPTSMN1; SMN2KDM4EALDH1A1POLB
Oxalic Acid SCHEMBL7990904 0.74 RXFP1 (0.43) MAPTKDM4EALDH1A1TDP1RAB9A
SCHEMBL7994725 0.71 L3MBTL1 (0.33) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed