Oxalic Acid

Oxalic Acid

SCHEMBL7470413

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

nearest known ligand 0.60

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
KMT2A Q03164 3/20 0.57
LSS P48449 1/20 0.56
HSD11B1 P28845 2/20 0.52
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
HRH1 P35367 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
MCHR1 Q99705 1/20 0.49
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL7472599 0.86 L3MBTL3 (0.52) KMT2ALSSL3MBTL3MEN1L3MBTL1
SCHEMBL8106205 0.86 ALDH1A1 (0.56) KMT2ALSSL3MBTL3MCHR1MEN1
SCHEMBL7465052 0.86 L3MBTL3 (0.52) KMT2ALSSL3MBTL3MEN1L3MBTL1
Hydrochloric Acid SCHEMBL7476858 0.86 L3MBTL3 (0.52) KMT2ALSSHSD11B1L3MBTL3MEN1
Oxalic Acid SCHEMBL7472822 0.86 L3MBTL3 (0.47) KMT2AL3MBTL3MCHR1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL7474861 0.85 ALDH1A1 (0.55) KMT2ALSSL3MBTL3MEN1L3MBTL1
SCHEMBL7466231 0.84 L3MBTL3 (0.50) KMT2AL3MBTL3MCHR1MEN1ALDH1A1
SCHEMBL7475777 0.84 MCHR1 (0.52) KMT2ALSSL3MBTL3MCHR1L3MBTL1
Hydrochloric Acid SCHEMBL7471203 0.83 ABL1 (0.52) KMT2AL3MBTL3MCHR1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7474764 0.83 L3MBTL3 (0.49) KMT2AL3MBTL3MCHR1MEN1L3MBTL1

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