Oxalic Acid

Oxalic Acid

SCHEMBL10552172

COc1cc2nc(CC3CCN(CCc4c(C)nc5ccccn5c4=O)CC3)n(Cc3ccc(F)cc3)c2cc1OC.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.54

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
SLC6A4 known ✓ P31645 1/20 0.37
OPRM1 known ✓ P35372 1/20 0.37
HTR2C P28335 4/20 0.54
CYP2D6 P10635 3/20 0.54
MAPT P10636 3/20 0.54
HTR1A P08908 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 2/20 0.54
CYP3A4 P08684 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
THPO P40225 1/20 0.54
PMP22 Q01453 1/20 0.54
ACHE P22303 1/20 0.47
HRH1 P35367 4/20 0.41
TACR2 P21452 2/20 0.41
TACR1 P25103 2/20 0.41

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 SCHEMBL10552180 1.00 HTR2C (0.54) HTR2CCYP2D6MAPTHTR1AMEN1
Oxalic Acid SCHEMBL10803132 0.90 HTR2C (0.55) HTR2CCYP2D6MAPTHTR1AMEN1
Oxalic Acid SCHEMBL10803137 0.90 HTR2C (0.55) HTR2CCYP2D6MAPTHTR1AMEN1
Bromide SCHEMBL10550913 0.88 HTR2C (0.56) HTR2CCYP2D6MAPTHTR1AMEN1
SCHEMBL10803117 0.87 HTR2C (0.56) HTR2CCYP2D6MAPTHTR1AMEN1
SCHEMBL9536711 0.86 CYP2D6 (0.59) HTR2CCYP2D6MAPTHTR1AMEN1
Oxalic Acid SCHEMBL10549021 0.82 KMT2A (0.53) MEN1KMT2AKDM4ESMN1; SMN2ACHE
Oxalic Acid SCHEMBL10549014 0.82 KMT2A (0.53) MEN1KMT2AKDM4ESMN1; SMN2ACHE
Oxalic Acid SCHEMBL10550767 0.82 HRH1 (0.55) HTR2CCYP2D6MAPTHTR1AMEN1
Oxalic Acid SCHEMBL10550774 0.82 HRH1 (0.55) HTR2CCYP2D6MAPTHTR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed