Oxalic Acid

Oxalic Acid

SCHEMBL27269366

NCCCOc1cccc2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.81

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 2/20 0.53
HTR1B P28222 4/20 0.81
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 3/20 0.59
KCNA3 P22001 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 2/20 0.59
ATM Q13315 1/20 0.58
OGG1 O15527 1/20 0.54
HRH1 P35367 1/20 0.53
MCL1 Q07820 4/20 0.52
BCL2 P10415 3/20 0.52
BCL2L1 Q07817 2/20 0.52
BAD Q92934 2/20 0.52
ALB P02768 1/20 0.52
NR2E1 Q9Y466 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL7206887 0.90 HTR1B (1.00) HTR1BKCNA3TDP1SLC6A4HRH1
Hydrochloric Acid SCHEMBL27274284 0.89 HTR1B (0.96) HTR1BKDM4EKCNA3TDP1KMT2A
SCHEMBL10527536 0.85 HTR1B (0.89) HTR1BKCNA3TDP1SLC6A4HRH1
SCHEMBL6846750 0.83 HTR1B (0.86) HTR1BKCNA3TDP1SLC6A4HRH1
SCHEMBL10525289 0.83 HTR1B (0.86) HTR1BKCNA3TDP1SLC6A4HRH1
SCHEMBL10525194 0.83 HTR1B (0.86) HTR1BKCNA3TDP1SLC6A4HRH1
SCHEMBL30825865 0.81 HTR1B (1.00) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL9523932 0.81 HTR1B (1.00) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL29865493 0.81 KDM4E (0.68) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL7279604 0.81 HTR1B (0.65) HTR1BKDM4EALDH1A1HPGDKCNA3

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
CN-1020093-C 1-phenyl -3-naphthalenyloxypropanamines LILLY CO ELI (US) 1993-03-17 CN disclosed
CN-88102018-A 1-Phenyl-3-naphthyloxypropylamine 1988-10-26 CN disclosed