Oxalic Acid

Oxalic Acid

SCHEMBL8919236

Cc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2.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 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GRIN2B Q13224 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
OGT O15294 1/20 0.38
CHIA Q9BZP6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CRBN Q96SW2 1/20 0.37
BRD4 O60885 1/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
CCR3 P51677 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL8922908 0.86 MAPK14 (0.41) MEN1KMT2AGRIN2BCYP2C9CYP2C19
SCHEMBL8922923 0.86 CRBN (0.48) GRIN2BOGTCHIAALDH1A1CRBN
SCHEMBL9207045 0.81 CCR3 (0.41) MEN1KMT2AL3MBTL1GRIN2BCYP2C9
SCHEMBL8919197 0.81 CRBN (0.47) GRIN2BOGTCRBNMAOAMAOB
Hydrochloric Acid SCHEMBL8918415 0.80 CCR3 (0.41) MEN1KMT2AL3MBTL1GRIN2BCYP2C9
Hydrochloric Acid SCHEMBL8919035 0.80 GRIN2B (0.39) MEN1KMT2AL3MBTL1GRIN2BCHIA
Oxalic Acid SCHEMBL8919232 0.79 MEN1 (0.41) MEN1KMT2AL3MBTL1GRIN2BCHIA
SCHEMBL8919246 0.78 L3MBTL1 (0.38) MEN1KMT2AL3MBTL1GRIN2BCYP2C9
Hydrochloric Acid SCHEMBL7470903 0.77 HSD11B1 (0.47) GRIN2BCHIACRBN
SCHEMBL8919777 0.77 CHIA (0.42) MEN1KMT2AL3MBTL1GRIN2BCHIA

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-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed