Oxalic Acid

Oxalic Acid

SCHEMBL8720463

CCOC(=O)C1CCCN(CC=C2c3ccccc3COc3ccccc32)C1.O=C(O)C(=O)O

nearest known ligand 0.56

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 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.53
HRH1 P35367 2/20 0.53
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.46

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 SCHEMBL6969816 0.90 RAB9A (0.54) TBXA2RHRH1ALDH1A1KDM4ERAB9A
SCHEMBL8717428 0.87 TBXA2R (0.60) TBXA2RHRH1CYP1A2CYP2D6CYP2C9
SCHEMBL8720453 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1ATMCYP1A2
Hydrochloric Acid SCHEMBL7609379 0.86 TBXA2R (0.59) TBXA2RHRH1ALDH1A1
Oxalic Acid SCHEMBL6964376 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1ATMCYP1A2
Oxalic Acid SCHEMBL6959081 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1ATMCYP1A2
SCHEMBL7472327 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL7468646 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL7473576 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
Oxalic Acid SCHEMBL6959493 0.79 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1ATMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869777-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997022338-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO disclosed