Oxalic Acid

Oxalic Acid

SCHEMBL8553970

CCCCN(CCCC)CCc1c(C(C)C)sc2ccc(NC(=O)c3ccc(N(CCC)CCC)cc3)cc12.O=C(O)C(=O)O

nearest known ligand 0.41

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 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
HTR1F P30939 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ADRB2 P07550 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ESRRG P62508 2/20 0.34
GBA1 P04062 1/20 0.34
PPARG P37231 1/20 0.33
BDKRB2 P30411 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
SCHEMBL8551502 0.85 HTR1F (0.46) MAPTKDM4ENPC1GALR3RAB9A
Oxalic Acid SCHEMBL8548077 0.82 EGFR (0.41) EGFRERBB2MAPTKDM4ENPC1
Oxalic Acid SCHEMBL8192522 0.82 HTR1F (0.45) EGFRERBB2MAPTKDM4ENPC1
SCHEMBL8548601 0.67 HTR1F (0.45) HTR1F
SCHEMBL8190120 0.67 HTR1F (0.58) MAPTKDM4ENPC1GALR3RAB9A
SCHEMBL8550328 0.67 FLT1 (0.37) EGFRERBB2MAPTNPC1RAB9A
Maleic Acid SCHEMBL8552223 0.66 HTR1F (0.41) MAPTNPC1RAB9AHTR1F
Sulfuric Acid SCHEMBL8551754 0.66 TMEM97 (0.43) MAPTKDM4ENPC1GALR3RAB9A
SCHEMBL8547156 0.66 HTR1F (0.49) MAPTNPC1RAB9AHTR1F
SCHEMBL8551441 0.66 ACKR3 (0.49) EGFRERBB2MAPTHTR1FTRPV1

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-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed