Oxalic Acid

Oxalic Acid

SCHEMBL8919232

CCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2c1NC(=O)CC2.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
OPRM1 known ✓ P35372 2/20 0.36
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GRIN2B Q13224 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHIA Q9BZP6 1/20 0.37
BRD4 O60885 1/20 0.36
PKM P14618 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35

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
SCHEMBL8919777 0.88 CHIA (0.42) MEN1KMT2AL3MBTL1ALDH1A1GRIN2B
Hydrochloric Acid SCHEMBL8919035 0.88 GRIN2B (0.39) MEN1KMT2AL3MBTL1ALDH1A1GRIN2B
Hydrochloric Acid SCHEMBL8921524 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GRIN2BKDM4E
SCHEMBL8921489 0.85 BRD4 (0.46) MEN1KMT2AL3MBTL1GRIN2BNPSR1
SCHEMBL8919205 0.85 HTT (0.45) MEN1KMT2AL3MBTL1ALDH1A1GRIN2B
SCHEMBL8922923 0.83 CRBN (0.48) ALDH1A1GRIN2BCHIAITGB3ITGA2B
Oxalic Acid SCHEMBL8920376 0.83 MEN1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1GRIN2B
SCHEMBL9207045 0.81 CCR3 (0.41) MEN1KMT2AL3MBTL1GRIN2BCHIA
Hydrochloric Acid SCHEMBL8918415 0.80 CCR3 (0.41) MEN1KMT2AL3MBTL1GRIN2BCHIA
Oxalic Acid SCHEMBL8919236 0.79 MEN1 (0.41) MEN1KMT2AL3MBTL1ALDH1A1GRIN2B

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