Oxalic Acid

Oxalic Acid

SCHEMBL9636288

CCOCCn1c(CN2CCN(CC(=O)OCC)CC2)nc2cccnc21.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.60

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 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.60
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 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
Oxalic Acid SCHEMBL9636291 1.00 SLC6A9 (0.60) SLC6A9CHRM5CHRM1LMNASMN1; SMN2
Oxalic Acid SCHEMBL9636284 0.90 SLC6A9 (0.61) SLC6A9CHRM5CHRM1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9636312 0.89 SLC6A9 (0.64) SLC6A9CHRM5CHRM1LMNASMN1; SMN2
Oxalic Acid SCHEMBL9634587 0.88 SLC6A9 (0.65) SLC6A9CHRM5CHRM1LMNASMN1; SMN2
Oxalic Acid SCHEMBL9636289 0.86 SLC6A9 (0.63) SLC6A9CHRM5CHRM1LMNASMN1; SMN2
Oxalic Acid SCHEMBL9870147 0.86 SLC6A9 (0.66) SLC6A9CHRM5CHRM1LMNAALDH1A1
Oxalic Acid SCHEMBL9870156 0.86 SLC6A9 (0.66) SLC6A9CHRM5CHRM1LMNAALDH1A1
Oxalic Acid SCHEMBL9636294 0.86 SLC6A9 (0.63) SLC6A9CHRM5CHRM1LMNASMN1; SMN2
Oxalic Acid SCHEMBL9634632 0.85 SLC6A9 (0.60) SLC6A9CHRM5CHRM1LMNASMN1; SMN2
Oxalic Acid SCHEMBL9634639 0.85 SLC6A9 (0.60) SLC6A9CHRM5CHRM1LMNASMN1; SMN2

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