Oxalic Acid

Oxalic Acid

SCHEMBL9687735

CC(=O)CCN1CCC(Nc2nc3cccnc3n2Cc2ccc(C)o2)CC1.CC(=O)CCN1CCC(Nc2nc3cccnc3n2Cc2ccc(C)o2)CC1.O=C(O)C(=O)O

nearest known ligand 0.42

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 13)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 2/20 0.37
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 3/20 0.37
KCNH2 Q12809 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
ENPP2 Q13822 3/20 0.37
SSTR5 P35346 2/20 0.37
NR4A2 P43354 1/20 0.35
HPGD P15428 1/20 0.34

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 SCHEMBL9687737 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
Oxalic Acid SCHEMBL9630637 0.88 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
Oxalic Acid SCHEMBL9630643 0.88 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
Fumaric Acid SCHEMBL9879661 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9630536 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9687066 0.84 RET (0.39) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9629492 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTTP53
Fumaric Acid SCHEMBL9879818 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9688954 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTTP53
Oxalic Acid SCHEMBL9807288 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTTP53

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-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
US-4897401-A N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases JANSSEN PHARMACEUTICAL N.V. (BE) 1990-01-30 US disclosed