Oxalic Acid

Oxalic Acid

SCHEMBL9613804

NC(CCOc1cccc2ccccc12)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.60

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 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
ATM Q13315 1/20 0.53
HTR1B P28222 6/20 0.53
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
KCNA3 P22001 1/20 0.50
OGG1 O15527 1/20 0.49
NR2E1 Q9Y466 1/20 0.47
MCL1 Q07820 4/20 0.46
HTR1D P28221 2/20 0.46
BCL2 P10415 2/20 0.45
BCL2L1 Q07817 2/20 0.45
BAD Q92934 2/20 0.45

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
SCHEMBL541161 0.93 HTR1B (0.60) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL12071826 0.93 HTR1B (0.60) KMT2AKDM4EALDH1A1HPGDTDP1
Isophthalic Acid SCHEMBL27276104 0.92 MRGPRX4 (0.56) KMT2AKDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL28883801 0.91 HTR1B (0.58) KMT2AKDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL28370503 0.91 HTR1B (0.58) KMT2AKDM4EALDH1A1HPGDTDP1
Oxalic Acid SCHEMBL9614031 0.91 KMT2A (0.52) KMT2AKDM4EALDH1A1HPGDTDP1
Oxalic Acid SCHEMBL9614065 0.89 KMT2A (0.53) KMT2AKDM4EALDH1A1HPGDTDP1
Oxalic Acid SCHEMBL9613778 0.89 KMT2A (0.53) KMT2AKDM4EALDH1A1HPGDTDP1
Oxalic Acid SCHEMBL9613902 0.86 SLC6A2 (0.51) KMT2AKDM4EALDH1A1HPGDTDP1
Oxalic Acid SCHEMBL9614095 0.84 KMT2A (0.53) 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 5 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
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
CN-88102018-A 1-Phenyl-3-naphthyloxypropylamine 1988-10-26 CN disclosed