Oxalic Acid

Oxalic Acid

SCHEMBL9519031

CN(C)C(CCCc1cccc2ccccc12)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.48

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 18)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
KMT2A Q03164 2/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM4E B2RXH2 2/20 0.45
METAP2 P50579 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MCL1 Q07820 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MTNR1A P48039 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTNNB1 P35222 1/20 0.41

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 SCHEMBL9519026 1.00 OPRM1 (0.48) OPRM1OPRD1KMT2ACHRNB2CHRNB4
SCHEMBL9517273 0.93 CYP1A2 (0.46) OPRM1OPRD1KMT2ACHRNB2CHRNB4
Oxalic Acid SCHEMBL9520785 0.92 KMT2A (0.50) OPRM1OPRD1KMT2ACHRNB2CHRNB4
Oxalic Acid SCHEMBL9520787 0.92 KMT2A (0.50) OPRM1OPRD1KMT2ACHRNB2CHRNB4
Cadaverine Tartrate SCHEMBL9518089 0.91 METAP2 (0.47) OPRM1OPRD1KMT2ACHRNB2CHRNB4
Cadaverine Tartrate SCHEMBL9518091 0.91 METAP2 (0.47) OPRM1OPRD1KMT2ACHRNB2CHRNB4
Cadaverine Tartrate SCHEMBL9517398 0.88 METAP2 (0.46) OPRM1OPRD1KMT2ACHRNB2CHRNB4
Cadaverine Tartrate SCHEMBL9517395 0.88 METAP2 (0.46) OPRM1OPRD1KMT2ACHRNB2CHRNB4
SCHEMBL10484168 0.85 CYP1A2 (0.49) OPRM1OPRD1KMT2ACHRNB2CHRNB4
Oxalic Acid SCHEMBL9517863 0.83 OPRM1 (0.46) OPRM1OPRD1KMT2ACHRNB2CHRNB4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4876282-A ANTIDEPRESSANT, DIETETICS, ANTIALCOHOLISM AGENT ELI LILLY AND COMPANY (US) 1989-10-24 US claimed
EP-0318234-B1 IMPROVEMENTS IN OR RELATING TO SELECTIVE SEROTONIN UPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4876282-A ANTIDEPRESSANT, DIETETICS, ANTIALCOHOLISM AGENT ELI LILLY AND COMPANY (US) 1989-10-24 US disclosed
EP-0318234-A2 Improvements in or relating to selective serotonin uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed