Oxalic Acid

Oxalic Acid

SCHEMBL9634587

CCOCCn1c(CN2CCN(CCO)CC2)nc2cccnc21.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.65

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
SLC6A9 P48067 1/20 0.65
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
HRH1 P35367 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9636330 0.95 SLC6A9 (0.68) SLC6A9KDM4EPOLBTSHRCHRM5
Oxalic Acid SCHEMBL9870156 0.91 SLC6A9 (0.66) SLC6A9KDM4ECHRM5CHRM1MEN1
Oxalic Acid SCHEMBL9870147 0.91 SLC6A9 (0.66) SLC6A9KDM4ECHRM5CHRM1MEN1
Oxalic Acid SCHEMBL9636289 0.89 SLC6A9 (0.63) SLC6A9KDM4ETSHRCHRM5CHRM1
Oxalic Acid SCHEMBL9636284 0.89 SLC6A9 (0.61) SLC6A9KDM4ETSHRCHRM5CHRM1
Oxalic Acid SCHEMBL9636294 0.89 SLC6A9 (0.63) SLC6A9KDM4ETSHRCHRM5CHRM1
Oxalic Acid SCHEMBL9634849 0.88 SLC6A9 (0.61) SLC6A9KDM4ECHRM5CHRM1MEN1
Oxalic Acid SCHEMBL9634855 0.88 SLC6A9 (0.61) SLC6A9KDM4ECHRM5CHRM1MEN1
Oxalic Acid SCHEMBL9634632 0.88 SLC6A9 (0.60) SLC6A9KDM4EPOLBCHRM5CHRM1
Oxalic Acid SCHEMBL9636288 0.88 SLC6A9 (0.60) SLC6A9KDM4ECHRM5CHRM1HRH1

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-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed