Oxalic Acid

Oxalic Acid

SCHEMBL9196754

CCCC(c1ccncc1)n1ccc2cc(OCc3ccccc3)ccc21.O=C(O)C(=O)O

nearest known ligand 0.57

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.57
ITGB3 P05106 7/20 0.45
ITGAV P06756 7/20 0.45
SRD5A2 P31213 1/20 0.44
ROCK1 Q13464 1/20 0.43
ITGB5 P18084 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CYP26A1 O43174 1/20 0.40
CYP3A4 P08684 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
SCHEMBL9194455 0.95 SLC6A2 (0.63) SLC6A2ITGB3ITGAVSRD5A2ROCK1
SCHEMBL8845725 0.83 SLC6A2 (0.54) SLC6A2ITGB3ITGAVITGB5NPC1
SCHEMBL9193611 0.81 SLC6A2 (0.54) SLC6A2ITGB3ITGAVMEN1NPC1
SCHEMBL9201002 0.80 SLC6A2 (0.43) SLC6A2SRD5A2ROCK1HDAC1HDAC6
SCHEMBL8845716 0.80 SLC6A2 (0.55) SLC6A2ITGB3ITGAVITGB5MEN1
SCHEMBL9197969 0.79 SLC6A2 (0.65) SLC6A2ITGB3ITGAVROCK1
SCHEMBL9196762 0.79 SLC6A2 (0.40) SLC6A2SRD5A2MEN1NPC1RAB9A
SCHEMBL9198615 0.79 SLC6A2 (0.59) SLC6A2ITGB3ITGAVITGB5MEN1
SCHEMBL8845539 0.79 SLC6A2 (0.56) SLC6A2ITGB3ITGAVITGB5
SCHEMBL9500100 0.78 SLC6A2 (0.44) SLC6A2MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471296-B1 1-(Pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST ROUSSEL PHARMA (US) 1995-11-08 EP disclosed
US-5214058-A Acetylcholinesterase inhibitors, treatment of senile dementia HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-25 US disclosed
EP-0471296-A1 1-(Pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-02-19 EP disclosed