Oxalic Acid

Oxalic Acid

SCHEMBL10359725

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1cccs1.O=C(O)C(=O)O

nearest known ligand 0.62

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
▸ SLC6A4 known ✓ P31645 6/20 0.62
▸ OPRM1 known ✓ P35372 2/20 0.62
▸ SLC6A2 P23975 9/20 0.62
▸ SLC6A3 Q01959 6/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ CYP2D6 P10635 3/20 0.62
▸ CYP2C19 P33261 3/20 0.62
▸ CYP3A4 P08684 3/20 0.62
▸ HTR2C P28335 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ MTOR P42345 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ DRD2 P14416 2/20 0.62
▸ ADRA2B P18089 2/20 0.62
▸ HTR2A P28223 2/20 0.62
▸ ADRA1A P35348 2/20 0.62

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 SCHEMBL10154 0.87 CACNA2D1 (0.58) SLC6A2SLC6A4SLC6A3KMT2ACYP2D6
Oxalic Acid SCHEMBL3993 0.87 CACNA2D1 (0.58) SLC6A2SLC6A4SLC6A3KMT2ACYP2D6
Oxalic Acid SCHEMBL3799 0.86 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3KMT2ACYP2D6
Oxalic Acid SCHEMBL10359897 0.84 SLC6A4 (0.62) SLC6A4HRH3SLC7A5CACNA2D1
Fluoxetine SCHEMBL8722258 0.84 SLC6A4 (0.88) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Oxalic Acid SCHEMBL3980 0.81 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Oxalic Acid SCHEMBL3554 0.80 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Fluoxetine SCHEMBL28120450 0.80 SLC6A4 (0.72) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Fluoxetine SCHEMBL28120451 0.80 SLC6A4 (0.72) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Oxalic Acid SCHEMBL4739531 0.80 SLC6A4 (0.72) SLC6A2SLC6A4SLC6A3KMT2AMEN1

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-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 — — EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 — — US disclosed
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