Oxalic Acid

Oxalic Acid

SCHEMBL4399

CN(C)CCC(Oc1cccc2ccccc12)C1CCCCC1.O=C(O)C(=O)O

nearest known ligand 0.49

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
SLC6A4 known ✓ P31645 1/20 0.41
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 4/20 0.43
HTR1B P28222 3/20 0.42
METAP2 P50579 3/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
METAP1 P53582 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL5078661 0.93 HTR1B (0.48) KDM4EMEN1KMT2AHTR1BMETAP2
Formic Acid SCHEMBL3879 0.91 HTR1B (0.42) KDM4EMEN1KMT2AALDH1A1HTR1B
Oxalic Acid SCHEMBL3729 0.85 KMT2A (0.54) MEN1KMT2ASLC6A2SLC6A4SLC6A3
Oxalic Acid SCHEMBL27413669 0.80 KMT2A (0.49) KDM4EMEN1KMT2AALDH1A1METAP2
SCHEMBL4400 0.77 METAP2 (0.41) MEN1KMT2AALDH1A1METAP2SLC6A2
SCHEMBL27445526 0.76 SLC6A4 (0.49) KDM4EMEN1KMT2AHTR1BSLC6A2
SCHEMBL3730 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1METAP2SLC6A2
SCHEMBL3880 0.73 METAP2 (0.37) KDM4EMEN1KMT2AALDH1A1HTR1B
Oxalic Acid SCHEMBL3923 0.72 SLC6A4 (0.61) KDM4EMEN1KMT2AALDH1A1HTR1B
Oxalic Acid SCHEMBL4054 0.72 SLC6A4 (0.50) KDM4EMEN1KMT2ASLC6A4UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed