Oxalic Acid

Oxalic Acid

SCHEMBL9630409

CN1CCC(Nc2nc3ccccc3n2Cc2cccs2)C1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.47

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
SSTR5 P35346 3/20 0.45
KCNH2 Q12809 3/20 0.44
EED O75530 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
NR4A2 P43354 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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 SCHEMBL9630418 1.00 SSTR5 (0.45) SSTR5KCNH2EEDSMN1; SMN2TSHR
SCHEMBL9630537 0.83 SMN1; SMN2 (0.50) SSTR5EEDSMN1; SMN2TSHRKDM4E
Oxalic Acid SCHEMBL9629446 0.82 KCNH2 (0.52) SSTR5KCNH2SMN1; SMN2TSHRKDM4E
Fumaric Acid SCHEMBL9629590 0.82 SSTR5 (0.46) SSTR5KCNH2EEDSMN1; SMN2MAPT
SCHEMBL9690910 0.81 EED (0.51) SSTR5KCNH2EEDSMN1; SMN2TSHR
SCHEMBL9682069 0.81 SSTR5 (0.65) SSTR5KCNH2EEDSMN1; SMN2MAPT
SCHEMBL9698262 0.81 SMN1; SMN2 (0.54) SSTR5SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL9630499 0.80 SMN1; SMN2 (0.51) SSTR5SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL9740847 0.79 SSTR5 (0.54) SSTR5KCNH2EEDSMN1; SMN2TSHR
SCHEMBL7498514 0.78 TACR2 (0.47) SSTR5KCNH2

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
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed