Oxalic Acid

Oxalic Acid

SCHEMBL7472822

CN(CCc1ccccc1)C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.47

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 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MBTD1 Q05BQ5 1/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
MCHR1 Q99705 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTR2B P41595 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
CHIA Q9BZP6 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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 SCHEMBL7470413 0.86 KMT2A (0.57) L3MBTL3L3MBTL1MCHR1KDM4EKMT2A
Oxalic Acid SCHEMBL7462899 0.85 ALDH1A1 (0.57) KDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7477622 0.84 KMT2A (0.56) L3MBTL3MCHR1KMT2AMEN1ABL1
Hydrochloric Acid SCHEMBL7476858 0.84 L3MBTL3 (0.52) L3MBTL3L3MBTL1KMT2AMEN1ABL1
SCHEMBL8106205 0.84 ALDH1A1 (0.56) L3MBTL3L3MBTL1MCHR1KMT2AMEN1
SCHEMBL7472599 0.84 L3MBTL3 (0.52) L3MBTL3L3MBTL1KMT2AMEN1ABL1
SCHEMBL7465052 0.84 L3MBTL3 (0.52) L3MBTL3L3MBTL1KMT2AMEN1ABL1
Hydrochloric Acid SCHEMBL7474861 0.83 ALDH1A1 (0.55) L3MBTL3L3MBTL1KMT2AMEN1ABL1
Hydrochloric Acid SCHEMBL7472030 0.82 L3MBTL3 (0.46) L3MBTL3MCHR1KMT2AMEN1ABL1
SCHEMBL7475777 0.82 MCHR1 (0.52) L3MBTL3L3MBTL1MCHR1KMT2AABL1

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