Oxalic Acid

Oxalic Acid

SCHEMBL9626263

CCC(N)CC(=O)C(C)(C)Cc1cccc(C(F)(F)F)c1.O=C(O)C(=O)O

nearest known ligand 0.46

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
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
EPHX1 P07099 8/20 0.46
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
ACP3 P15309 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 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
Oxalic Acid SCHEMBL9625636 0.84 SMN1; SMN2 (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
Oxalic Acid SCHEMBL9625360 0.78 RIPK1 (0.39) DPP4DPP7KDM4ETDP1ALDH1A1
SCHEMBL27926032 0.77 ACP3 (0.51) HTR2AHTR2CHTR2BEPHX1MEN1
SCHEMBL28245991 0.76 MEN1 (0.50) HTR2AHTR2CHTR2BEPHX1MEN1
SCHEMBL9625078 0.73 RIPK1 (0.41) DPP4DPP7KDM4ETDP1CYP1A2
Oxalic Acid SCHEMBL9626272 0.71 ANPEP (0.43) EPHX1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL2033126 0.71 HTR2A (0.60) HTR2AHTR2CHTR2BEPHX1DPP4
SCHEMBL2034430 0.71 HTR2A (0.60) HTR2AHTR2CHTR2BEPHX1DPP4
SCHEMBL2033122 0.71 HTR2A (0.60) HTR2AHTR2CHTR2BEPHX1DPP4
SCHEMBL29478428 0.71 HTR2A (0.60) HTR2AHTR2CHTR2BEPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322391-B1 NEW PHENYLALKYLAMINE DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed