Oxalic Acid

Oxalic Acid

SCHEMBL9625360

CCC(N)CC(=O)C(C)(C)Cc1ccc(F)cc1.O=C(O)C(=O)O

nearest known ligand 0.39

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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 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KIF11 P52732 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PPARG P37231 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
HPGD P15428 2/20 0.35
BLM P54132 1/20 0.34
CTBP2 P56545 1/20 0.34
MME P08473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL9625078 0.96 RIPK1 (0.41) RIPK1TDP1KDM4EKIF11DPP4
Oxalic Acid SCHEMBL9625636 0.87 SMN1; SMN2 (0.40) RIPK1KDM4EKIF11MMP8ALDH1A1
Oxalic Acid SCHEMBL9625441 0.86 DPP4 (0.44) KDM4EKIF11DPP4DPP7PPARG
Oxalic Acid SCHEMBL9626820 0.84 HPGD (0.38) RIPK1KDM4EKIF11HPGDBLM
Oxalic Acid SCHEMBL9625536 0.84 FFAR1 (0.37) RIPK1KDM4EKIF11HPGDALDH1A1
Oxalic Acid SCHEMBL9625660 0.83 DPP4 (0.39) KDM4EDPP4DPP7MMP12CTBP2
Oxalic Acid SCHEMBL9624956 0.82 BLM (0.35) RIPK1KDM4EKIF11DPP4DPP7
Oxalic Acid SCHEMBL9625642 0.82 RIPK1 (0.43) RIPK1TDP1KDM4EPPARGHPGD
Oxalic Acid SCHEMBL9625351 0.82 TDP1 (0.45) RIPK1TDP1KDM4EPPARGMMP2
Oxalic Acid SCHEMBL9626263 0.78 HTR2A (0.46) TDP1KDM4EDPP4DPP7ALDH1A1

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
CN-1023478-C Novel compounds ASTRA AB (SE) 1994-01-12 CN disclosed
EP-0322391-B1 NEW PHENYLALKYLAMINE DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed
CN-1034710-A New compound ASTRA AB (SE) 1989-08-16 CN disclosed
EP-0322391-A1 New phenylalkylamine derivatives AKTIEBOLAGET ASTRA (SE) 1989-06-28 EP disclosed