Oxalic Acid

Oxalic Acid

SCHEMBL9035655

CCN(CCc1ccc(OC)c(OC)c1)CCN(CC1CCCCCCC1)C(=O)CCCCOc1ccc2[nH]c(=O)ccc2c1.O=C(O)C(=O)O

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.49
PDE3A Q14432 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PDE5A O76074 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
PTAFR P25105 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PMP22 Q01453 1/20 0.49
PDE1C Q14123 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 3/20 0.39

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
SCHEMBL9035287 0.87 PDE3B (0.61) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL9283568 0.86 PDE3B (0.58) PDE3BPDE3AMEN1KMT2AKDM4E
Oxalic Acid SCHEMBL9035067 0.86 PDE3B (0.58) PDE3BPDE3AMEN1KMT2AKDM4E
Oxalic Acid SCHEMBL9035663 0.86 PDE3B (0.58) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL9035659 0.83 MEN1 (0.36) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL9035517 0.82 PDE3B (0.55) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11313114 0.80 PDE3B (0.65) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL11071664 0.80 ALDH1A1 (0.48) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL9036148 0.79 PDE3B (0.62) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL9036967 0.79 PDE3B (0.58) PDE3BPDE3AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed