Oxalic Acid

Oxalic Acid

SCHEMBL9614031

NC(CCOc1cccc2ccccc12)c1ccc(Cl)cc1.O=C(O)C(=O)O

nearest known ligand 0.52

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 1/20 0.46
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 3/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCL1 Q07820 6/20 0.47
HTR1B P28222 2/20 0.47
BCL2 P10415 2/20 0.46
BCL2L1 Q07817 2/20 0.46
BAD Q92934 1/20 0.46
SLC6A2 P23975 1/20 0.46
TRPM4 Q8TD43 1/20 0.45
KCNA3 P22001 1/20 0.45
G6PD P11413 1/20 0.44
OGG1 O15527 1/20 0.44

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 SCHEMBL9613804 0.91 KMT2A (0.60) KMT2AKDM4EALDH1A1POLBMEN1
Oxalic Acid SCHEMBL9614065 0.88 KMT2A (0.53) KMT2AKDM4EALDH1A1POLBMEN1
Oxalic Acid SCHEMBL9613778 0.86 KMT2A (0.53) KMT2AKDM4EALDH1A1POLBMEN1
SCHEMBL12071826 0.84 HTR1B (0.60) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL541161 0.84 HTR1B (0.60) KMT2AKDM4EALDH1A1HPGDTDP1
Oxalic Acid SCHEMBL9613796 0.84 KMT2A (0.51) KMT2AKDM4EALDH1A1POLBMEN1
Isophthalic Acid SCHEMBL27276104 0.83 MRGPRX4 (0.56) KMT2AKDM4EALDH1A1POLBMEN1
Oxalic Acid SCHEMBL9613749 0.83 SCN4A (0.39) KMT2AMEN1MCL1SLC6A2SLC6A4
Oxalic Acid SCHEMBL9613947 0.83 KMT2A (0.49) KMT2AKDM4EALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL28883801 0.83 HTR1B (0.58) KMT2AKDM4EALDH1A1HPGDTDP1

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
US-5135947-A Treatment of depression, eating disorders, and alcoholism ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed
EP-0288188-B1 1-PHENYL-3-NAPHTHALENYLOXY-PROPANAMINES ELI LILLY AND COMPANY (US) 1991-10-16 EP disclosed
EP-0288188-A1 1-Phenyl-3-naphthalenyloxy-propanamines ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed