Oxalic Acid

Oxalic Acid

SCHEMBL7464359

Cc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc(C)c1N.O=C(O)C(=O)O

nearest known ligand 0.46

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 16)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.40
HTT P42858 1/20 0.40
GRIN2B Q13224 1/20 0.40
DRD4 P21917 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40

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 SCHEMBL7475496 0.92 POLB (0.47) CHIAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7465796 0.89 POLB (0.46) CHIAKMT2AMEN1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7464856 0.88 CHIA (0.45) CHIAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7473094 0.86 HSD11B1 (0.56) CHIAKMT2AMEN1L3MBTL1L3MBTL3
SCHEMBL9391468 0.85 CHIA (0.46) CHIAKMT2AMEN1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7476631 0.84 CHIA (0.46) CHIAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7472599 0.84 L3MBTL3 (0.52) CHIAKMT2AMEN1L3MBTL1L3MBTL3
Oxalic Acid SCHEMBL7461354 0.83 MEN1 (0.47) CHIAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7463618 0.83 MGLL (0.48) CHIAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL2831451 0.82 L3MBTL1 (0.44) CHIAKMT2AMEN1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed