Oxalic Acid

Oxalic Acid

SCHEMBL9635874

CCOCCn1c(CN2CCN(C(=O)O)C(C)C2)nc2cccnc21.O=C(O)C(=O)O.[CH2]C

nearest known ligand 0.56

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
SLC6A9 P48067 1/20 0.56
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
RECQL P46063 1/20 0.39
TP53 P04637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HRH1 P35367 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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 SCHEMBL9635878 0.92 SLC6A9 (0.56) SLC6A9CHRM5CHRM1RECQLTP53
SCHEMBL9686541 0.86 SLC6A9 (0.62) SLC6A9CHRM5CHRM1RECQLTP53
Fumaric Acid SCHEMBL9634684 0.86 SLC6A9 (0.57) SLC6A9CHRM5CHRM1RECQLTP53
Oxalic Acid SCHEMBL9636284 0.84 SLC6A9 (0.61) SLC6A9CHRM5CHRM1TP53MEN1
Oxalic Acid SCHEMBL9634587 0.82 SLC6A9 (0.65) SLC6A9CHRM5CHRM1TP53MEN1
Oxalic Acid SCHEMBL9636294 0.81 SLC6A9 (0.63) SLC6A9CHRM5CHRM1TP53MEN1
Oxalic Acid SCHEMBL9636289 0.81 SLC6A9 (0.63) SLC6A9CHRM5CHRM1TP53MEN1
Oxalic Acid SCHEMBL9870156 0.81 SLC6A9 (0.66) SLC6A9CHRM5CHRM1TP53MEN1
Oxalic Acid SCHEMBL9870147 0.81 SLC6A9 (0.66) SLC6A9CHRM5CHRM1TP53MEN1
Oxalic Acid SCHEMBL9634632 0.80 SLC6A9 (0.60) SLC6A9CHRM5CHRM1TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed