Oxalic Acid

Oxalic Acid

SCHEMBL9853811

Nc1ccncc1Oc1ccccc1CO.O=C(O)C(=O)O

nearest known ligand 0.44

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
KDM4C Q9H3R0 2/20 0.42
CXCL8 P10145 2/20 0.38
TSPO P30536 4/20 0.37
OPRK1 P41145 2/20 0.37
SLC22A12 Q96S37 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
ALB P02768 1/20 0.35

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
SCHEMBL9853824 0.93 KDM4C (0.38) KDM4CSLC22A12KDM4EICAM1SELE
SCHEMBL9853814 0.81 KDM4C (0.39) KDM4CCXCL8TSPOOPRK1SLC22A12
SCHEMBL9853794 0.79 KDM4E (0.40) KDM4CCXCL8TSPOOPRK1MEN1
SCHEMBL9853270 0.77 KDM4E (0.51) KDM4CMEN1KMT2AKDM4EKDM6B
SCHEMBL5950358 0.72 SLC6A2 (0.50) CXCL8KDM4ECHRM1
SCHEMBL9853795 0.71 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL4374807 0.71 PTGS1 (0.50) KDM4CALDH1A1ICAM1SELE
SCHEMBL9853585 0.71 CYP3A4 (0.46) KDM4EALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL9853808 0.70 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL23012547 0.70 PTGS1 (0.48) KDM4CTSPOOPRK1ALDH1A1ALB

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-0405487-A1 Phenoxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US disclosed