Oxalic Acid

Oxalic Acid

SCHEMBL8205203

NC(=O)CC1=NOc2ccccc2C=C1.O=C(O)C(=O)O

nearest known ligand 0.33

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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 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL6190907 0.96 LMNA (0.34) MEN1KMT2APOLBCASP6LMNA
Hydrochloric Acid SCHEMBL8205122 0.94 LMNA (0.33) MEN1KMT2APOLBCASP6LMNA
Hydrochloric Acid SCHEMBL8206694 0.94 LMNA (0.33) MEN1KMT2APOLBCASP6LMNA
SCHEMBL5079126 0.85 AKR1B1 (0.38) MEN1KMT2APOLBCASP6LMNA
SCHEMBL8205903 0.77 HSD17B10 (0.36) POLBMAPK1KDM4EALDH1A1MAPT
SCHEMBL4563591 0.75 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL6188489 0.75 SMN1; SMN2 (0.41) POLBLMNATSHRKDM4EALDH1A1
SCHEMBL9933267 0.75 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28760203 0.72 TDP1 (0.32) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7377317 0.72 TRPA1 (0.37) MEN1KMT2APOLBCASP6LMNA

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-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed