Oxalic Acid

Oxalic Acid

SCHEMBL9613902

NC(CCOc1cccc2ccccc12)c1cccc(C(F)(F)F)c1.O=C(O)C(=O)O

nearest known ligand 0.51

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 0.51
SLC6A2 P23975 1/20 0.51
KMT2A Q03164 2/20 0.50
MCL1 Q07820 4/20 0.45
BCL2L1 Q07817 2/20 0.45
BAD Q92934 2/20 0.45
MC4R P32245 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 2/20 0.43
HTR1B P28222 2/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SLC1A5 Q15758 1/20 0.41
KCNA3 P22001 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 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
Oxalic Acid SCHEMBL9613804 0.86 KMT2A (0.60) KMT2AMCL1BCL2L1BADKDM4E
Oxalic Acid SCHEMBL9614065 0.83 KMT2A (0.53) KMT2AMCL1BCL2L1BADKDM4E
SCHEMBL9291819 0.83 SLC6A4 (0.56) SLC6A2SLC6A4KMT2AKDM4EHTR1A
Oxalic Acid SCHEMBL9613942 0.81 SLC6A4 (0.49) SLC6A4KMT2AMCL1BCL2L1BAD
Isophthalic Acid SCHEMBL27276104 0.81 MRGPRX4 (0.56) KMT2AMCL1BCL2L1BADKDM4E
SCHEMBL541161 0.79 HTR1B (0.60) SLC6A4KMT2AKDM4EALDH1A1HPGD
SCHEMBL12071826 0.79 HTR1B (0.60) SLC6A4KMT2AKDM4EALDH1A1HPGD
Oxalic Acid SCHEMBL9614031 0.78 KMT2A (0.52) SLC6A2SLC6A4KMT2AMCL1BCL2L1
Hydrochloric Acid SCHEMBL28883801 0.78 HTR1B (0.58) SLC6A4KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL28370503 0.78 HTR1B (0.58) SLC6A4KMT2AKDM4EALDH1A1HPGD

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